N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

C20H18F3N5O2 — CID 177049980

IUPACN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2ccnc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-10-12(4-7-25-18)15-11-16-14(3-2-8-28(16)27-15)26-19(29)13-5-6-24-17(9-13)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyBMBHLCRAQQNICG-AWEZNQCLSA-N
MW417.39 g/mol
LogP3.63
Rot. Bonds4

About N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 177049980) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID177049980
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2ccnc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H18F3N5O2/c1-30-18-10-12(4-7-25-18)15-11-16-14(3-2-8-28(16)27-15)26-19(29)13-5-6-24-17(9-13)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/m0/s1
InChIKeyBMBHLCRAQQNICG-AWEZNQCLSA-N
XLogP3.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

CID 56968001
CID 56968001
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CID 86707711
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
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2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 25242540
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
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CID 67491582
2-Tert-butyl-1'-(1-methoxyisoquinoline-7-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292726
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(2-methoxy-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769476
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188595
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 177049980) is N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1cc(-c2cc3n(n2)CCC[C@@H]3NC(=O)c2ccnc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is BMBHLCRAQQNICG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-30-18-10-12(4-7-25-18)15-11-16-14(3-2-8-28(16)27-15)26-19(29)13-5-6-24-17(9-13)20(21,22)23/h4-7,9-11,14H,2-3,8H2,1H3,(H,26,29)/t14-/m0/s1.
What are the key properties of N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 177049980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).