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

C27H28N8O2 — CID 126752972

IUPAC(2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(NC(=O)[C@@H]5CCCO5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H28N8O2/c1-33-16-21(15-30-33)19-11-23(26-20(12-28)14-31-35(26)17-19)18-4-5-25(29-13-18)34-8-6-22(7-9-34)32-27(36)24-3-2-10-37-24/h4-5,11,13-17,22,24H,2-3,6-10H2,1H3,(H,32,36)/t24-/m0/s1
InChIKeyKJJDORQTQFEKIS-DEOSSOPVSA-N
MW496.58 g/mol
LogP2.93
Rot. Bonds5

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

(2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 126752972) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID126752972
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name(2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(NC(=O)[C@@H]5CCCO5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H28N8O2/c1-33-16-21(15-30-33)19-11-23(26-20(12-28)14-31-35(26)17-19)18-4-5-25(29-13-18)34-8-6-22(7-9-34)32-27(36)24-3-2-10-37-24/h4-5,11,13-17,22,24H,2-3,6-10H2,1H3,(H,32,36)/t24-/m0/s1
InChIKeyKJJDORQTQFEKIS-DEOSSOPVSA-N
XLogP2.93
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide (CID 126752972) is (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide is Cn1cc(-c2cc(-c3ccc(N4CCC(NC(=O)[C@@H]5CCCO5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is KJJDORQTQFEKIS-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-33-16-21(15-30-33)19-11-23(26-20(12-28)14-31-35(26)17-19)18-4-5-25(29-13-18)34-8-6-22(7-9-34)32-27(36)24-3-2-10-37-24/h4-5,11,13-17,22,24H,2-3,6-10H2,1H3,(H,32,36)/t24-/m0/s1.
What are the key properties of (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126752972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).