1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide

C26H25F3N8O — CID 126740324

IUPAC1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C26H25F3N8O/c1-16(26(27,28)29)34-25(38)17-5-7-36(8-6-17)23-4-3-18(11-31-23)22-9-19(21-13-32-35(2)14-21)15-37-24(22)20(10-30)12-33-37/h3-4,9,11-17H,5-8H2,1-2H3,(H,34,38)/t16-/m1/s1
InChIKeyKPDYAINJNJJAFO-MRXNPFEDSA-N
MW522.54 g/mol
LogP3.95
Rot. Bonds5

About 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide (PubChem CID 126740324) has the molecular formula C26H25F3N8O and a molecular weight of 522.54 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide
PubChem CID126740324
Molecular FormulaC26H25F3N8O
Molecular Weight522.54 g/mol
Exact Mass522.21
IUPAC Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C26H25F3N8O/c1-16(26(27,28)29)34-25(38)17-5-7-36(8-6-17)23-4-3-18(11-31-23)22-9-19(21-13-32-35(2)14-21)15-37-24(22)20(10-30)12-33-37/h3-4,9,11-17H,5-8H2,1-2H3,(H,34,38)/t16-/m1/s1
InChIKeyKPDYAINJNJJAFO-MRXNPFEDSA-N
XLogP3.95
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
Vustanaciclib
CID 155282305
3-[2-(Cyclopropylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
CID 10270438
1-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)pyrrolidin-2-one
CID 118660560
US10717746, Example 63
CID 124155244
US10717746, Example 3
CID 124155402
1-[4-[[2-[[6-(1-ethylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129245517
3,3,3-trifluoro-1-[4-[[2-[[6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129246130
1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484410
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
CID 155484594
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155534544

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide (CID 126740324) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F.
What is the InChIKey of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide?
The InChIKey is KPDYAINJNJJAFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H25F3N8O/c1-16(26(27,28)29)34-25(38)17-5-7-36(8-6-17)23-4-3-18(11-31-23)22-9-19(21-13-32-35(2)14-21)15-37-24(22)20(10-30)12-33-37/h3-4,9,11-17H,5-8H2,1-2H3,(H,34,38)/t16-/m1/s1.
What are the key properties of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide?
1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide has a molecular weight of 522.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 126740324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).