4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide

C26H27N9O2 — CID 126740337

IUPAC4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N[C@H]5CCOC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H27N9O2/c1-32-15-21(14-29-32)19-10-23(25-20(11-27)13-30-35(25)16-19)18-2-3-24(28-12-18)33-5-7-34(8-6-33)26(36)31-22-4-9-37-17-22/h2-3,10,12-16,22H,4-9,17H2,1H3,(H,31,36)/t22-/m0/s1
InChIKeyQOJZOTWZTJJQGB-QFIPXVFZSA-N
MW497.56 g/mol
LogP2.29
Rot. Bonds4

About 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide (PubChem CID 126740337) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide
PubChem CID126740337
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC Name4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N[C@H]5CCOC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H27N9O2/c1-32-15-21(14-29-32)19-10-23(25-20(11-27)13-30-35(25)16-19)18-2-3-24(28-12-18)33-5-7-34(8-6-33)26(36)31-22-4-9-37-17-22/h2-3,10,12-16,22H,4-9,17H2,1H3,(H,31,36)/t22-/m0/s1
InChIKeyQOJZOTWZTJJQGB-QFIPXVFZSA-N
XLogP2.29
TPSA116.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide (CID 126740337) is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)N[C@H]5CCOC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide?
The InChIKey is QOJZOTWZTJJQGB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-32-15-21(14-29-32)19-10-23(25-20(11-27)13-30-35(25)16-19)18-2-3-24(28-12-18)33-5-7-34(8-6-33)26(36)31-22-4-9-37-17-22/h2-3,10,12-16,22H,4-9,17H2,1H3,(H,31,36)/t22-/m0/s1.
What are the key properties of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide?
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(3S)-oxolan-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126740337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).