2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C85H93F12N29O9 — CID 161084423

IUPAC2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cn1.COCCN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C22H26F3N7O2.C21H19F3N8O2.C21H24F3N7O3.C21H24F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32;1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32;1-33-10-9-30-7-2-3-13(12-30)34-15-4-6-26-11-14(15)27-20(32)17-18(25)29-31-8-5-16(21(22,23)24)28-19(17)31;1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33);3-10H,11H2,1-2H3,(H2,25,30)(H,28,33);4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32);7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyUGHXATQXAVZFQK-UHFFFAOYSA-N
MW1892.85 g/mol
LogP12.40
Rot. Bonds24

About 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 161084423) has the molecular formula C85H93F12N29O9 and a molecular weight of 1892.85 g/mol. Its IUPAC name is 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID161084423
Molecular FormulaC85H93F12N29O9
Molecular Weight1892.85 g/mol
Exact Mass1891.75
IUPAC Name2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cn1.COCCN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C22H26F3N7O2.C21H19F3N8O2.C21H24F3N7O3.C21H24F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32;1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32;1-33-10-9-30-7-2-3-13(12-30)34-15-4-6-26-11-14(15)27-20(32)17-18(25)29-31-8-5-16(21(22,23)24)28-19(17)31;1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33);3-10H,11H2,1-2H3,(H2,25,30)(H,28,33);4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32);7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyUGHXATQXAVZFQK-UHFFFAOYSA-N
XLogP12.40
TPSA464.80 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.85
LogP ≤ 512.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

US11155557, Example 47
CID 135200172
US11155557, Example 44
CID 146236171
2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287699
2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199752
Synthesis of (E)-1-((10S)-4-((4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-2-fluoro-5-methylphenyl)amino)-7,8,10,11-tetrahydro-9H-6,10-methanopyrimido[4',5':5,6]pyrido[3,2-b][1,4,7]oxadiazonin-9-yl)-34-((R)-1-methylpyrrolidin-2-yl)prop-2-en-1-one
CID 168257832
Synthesis of (E)-1-((10S)-4-((4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-2-fluoro-5-methylphenyl)amino)-7,8,10,11-tetrahydro-9H-6,10-methanopyrimido[4',5':5,6]pyrido[3,2-b][1,4,7]oxadiazonin-9-yl)-3-((R)-1-methylpyrrolidin-2-yl)prop-2-en-1-one
CID 168762279
US20240368194, Example 13
CID 167439846
US20240368194, Example 33
CID 172494536
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304306
2-amino-N-[4-[6-[(dimethylamino)methyl]pyridin-3-yl]oxypyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90417730
2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]pyridin-3-yl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90444230
1-[4-(2-hydroxyethoxy)-N-[[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoyl]anilino]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 90738642

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 161084423) is 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.CN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cn1.COCCN1CCCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.
What is the InChIKey of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UGHXATQXAVZFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O2.C21H19F3N8O2.C21H24F3N7O3.C21H24F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32;1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32;1-33-10-9-30-7-2-3-13(12-30)34-15-4-6-26-11-14(15)27-20(32)17-18(25)29-31-8-5-16(21(22,23)24)28-19(17)31;1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33);3-10H,11H2,1-2H3,(H2,25,30)(H,28,33);4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32);7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32).
What are the key properties of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1892.85 g/mol, XLogP of 12.40, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 161084423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).