2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18F3N7O2 — CID 86304964

IUPAC2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C18H18F3N7O2/c1-27-6-3-10(9-27)30-12-2-5-23-8-11(12)24-17(29)14-15(22)26-28-7-4-13(18(19,20)21)25-16(14)28/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,22,26)(H,24,29)/t10-/m1/s1
InChIKeyYFEOKGITCXEQND-SNVBAGLBSA-N
MW421.38 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304964) has the molecular formula C18H18F3N7O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304964
Molecular FormulaC18H18F3N7O2
Molecular Weight421.38 g/mol
Exact Mass421.15
IUPAC Name2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC[C@@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C18H18F3N7O2/c1-27-6-3-10(9-27)30-12-2-5-23-8-11(12)24-17(29)14-15(22)26-28-7-4-13(18(19,20)21)25-16(14)28/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,22,26)(H,24,29)/t10-/m1/s1
InChIKeyYFEOKGITCXEQND-SNVBAGLBSA-N
XLogP2.06
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304793
2-amino-N-(4-cyclobutyloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(cyclopropylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-ethoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161091461
2-amino-N-[4-(1,1-dioxothian-4-yl)oxy-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199105
5-amino-N-(4-cyclohexyloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 129166497
2-amino-N-(4-methoxy-3-pyridinyl)-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448299
2-amino-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383540
prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90417814
2-amino-6-fluoro-N-[4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200159
2-amino-6-fluoro-N-[4-[1-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082
2-amino-6-(2-cyanopropan-2-yl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199868
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304964) is 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.
What is the InChIKey of 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YFEOKGITCXEQND-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18F3N7O2/c1-27-6-3-10(9-27)30-12-2-5-23-8-11(12)24-17(29)14-15(22)26-28-7-4-13(18(19,20)21)25-16(14)28/h2,4-5,7-8,10H,3,6,9H2,1H3,(H2,22,26)(H,24,29)/t10-/m1/s1.
What are the key properties of 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).