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

C21H24F3N7O3 — CID 86304150

IUPAC2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CCC[C@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C21H24F3N7O3/c1-33-10-9-30-7-2-3-13(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/h4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32)/t13-/m0/s1
InChIKeyGXIOBBBHKRNJHF-ZDUSSCGKSA-N
MW479.46 g/mol
LogP2.47
Rot. Bonds7

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

2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304150) has the molecular formula C21H24F3N7O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-amino-N-[4-[(3S)-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-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304150
Molecular FormulaC21H24F3N7O3
Molecular Weight479.46 g/mol
Exact Mass479.19
IUPAC Name2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCN1CCC[C@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1
InChIInChI=1S/C21H24F3N7O3/c1-33-10-9-30-7-2-3-13(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/h4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32)/t13-/m0/s1
InChIKeyGXIOBBBHKRNJHF-ZDUSSCGKSA-N
XLogP2.47
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[(3S)-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

US10774086, Example 4
CID 134551585
US10774086, Example 3
CID 134551596
US10774086, Example 41
CID 134551836
US10774086, Example 38
CID 134551689
5-[(2-cyclopropyloxypyridin-3-yl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508
N-(3,3-difluorocyclobutyl)-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441585
7-Amino-5-[[2-(trifluoromethoxy)pyridin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441594
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449132
5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449140
N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449321
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449328
N-cyclobutyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3S)-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-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304150) is 2-amino-N-[4-[(3S)-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-[(3S)-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-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCN1CCC[C@H](Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)C1.
What is the InChIKey of 2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GXIOBBBHKRNJHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24F3N7O3/c1-33-10-9-30-7-2-3-13(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/h4-6,8,11,13H,2-3,7,9-10,12H2,1H3,(H2,25,29)(H,27,32)/t13-/m0/s1.
What are the key properties of 2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).