2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide

C19H19F3N6O — CID 177049859

IUPAC2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide
SMILESCc1ccn(CC(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1
InChIInChI=1S/C19H19F3N6O/c1-12-5-8-27(25-12)11-18(29)24-14-3-2-7-28-16(14)10-15(26-28)13-4-6-23-17(9-13)19(20,21)22/h4-6,8-10,14H,2-3,7,11H2,1H3,(H,24,29)/t14-/m0/s1
InChIKeyJRZOSTAPJVFJMV-AWEZNQCLSA-N
MW404.40 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide

2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide (PubChem CID 177049859) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide
PubChem CID177049859
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide
SMILESCc1ccn(CC(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1
InChIInChI=1S/C19H19F3N6O/c1-12-5-8-27(25-12)11-18(29)24-14-3-2-7-28-16(14)10-15(26-28)13-4-6-23-17(9-13)19(20,21)22/h4-6,8-10,14H,2-3,7,11H2,1H3,(H,24,29)/t14-/m0/s1
InChIKeyJRZOSTAPJVFJMV-AWEZNQCLSA-N
XLogP3.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide with MolForge

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Related Compounds

N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
N-[2-(1,2-dimethyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145848
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-5-methylpiperazin-1-yl]ethanone
CID 90231983
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
1-[[(2R,5R)-1-[2-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one
CID 90232180
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 90232282
1-[6-[(2,4-difluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2R,5R)-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-methylpiperazin-1-yl]ethanone
CID 90240297
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078
8-[3-[4-(1-Methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407987

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide (CID 177049859) is 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide is Cc1ccn(CC(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide?
The InChIKey is JRZOSTAPJVFJMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-12-5-8-27(25-12)11-18(29)24-14-3-2-7-28-16(14)10-15(26-28)13-4-6-23-17(9-13)19(20,21)22/h4-6,8-10,14H,2-3,7,11H2,1H3,(H,24,29)/t14-/m0/s1.
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide?
2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]acetamide is sourced from PubChem (CID 177049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).