(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane

C25H31N7O2S — CID 167661379

IUPAC(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)[C@@H]4CCN4)CC3)nc2)c2c(C#N)cnn2c1.S
InChIInChI=1S/C25H29N7O2.H2S/c1-3-34-19-12-20(23-18(13-26)15-29-32(23)16-19)17-4-5-22(28-14-17)31-10-7-25(2,8-11-31)30-24(33)21-6-9-27-21;/h4-5,12,14-16,21,27H,3,6-11H2,1-2H3,(H,30,33);1H2/t21-;/m0./s1
InChIKeyRZVRFJQPUSVMEX-BOXHHOBZSA-N
MW493.64 g/mol
LogP2.62
Rot. Bonds6

About (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane

(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane (PubChem CID 167661379) has the molecular formula C25H31N7O2S and a molecular weight of 493.64 g/mol. Its IUPAC name is (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane.

Molecular Properties

Compound Name(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
PubChem CID167661379
Molecular FormulaC25H31N7O2S
Molecular Weight493.64 g/mol
Exact Mass493.23
IUPAC Name(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)[C@@H]4CCN4)CC3)nc2)c2c(C#N)cnn2c1.S
InChIInChI=1S/C25H29N7O2.H2S/c1-3-34-19-12-20(23-18(13-26)15-29-32(23)16-19)17-4-5-22(28-14-17)31-10-7-25(2,8-11-31)30-24(33)21-6-9-27-21;/h4-5,12,14-16,21,27H,3,6-11H2,1-2H3,(H,30,33);1H2/t21-;/m0./s1
InChIKeyRZVRFJQPUSVMEX-BOXHHOBZSA-N
XLogP2.62
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 170771140
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid
CID 134496730
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamate
CID 134506247
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-cyclopropyl-4-methylpiperidin-4-yl]acetamide
CID 146667078
propan-2-yl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(5S)-4,5-dimethyl-1,4-diazepan-1-yl]methyl]piperidin-4-yl]carbamate
CID 165374216
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane?
The IUPAC name of (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane (CID 167661379) is (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane.
What is the SMILES notation for (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane?
The canonical SMILES for (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane is CCOc1cc(-c2ccc(N3CCC(C)(NC(=O)[C@@H]4CCN4)CC3)nc2)c2c(C#N)cnn2c1.S.
What is the InChIKey of (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane?
The InChIKey is RZVRFJQPUSVMEX-BOXHHOBZSA-N. The full InChI is InChI=1S/C25H29N7O2.H2S/c1-3-34-19-12-20(23-18(13-26)15-29-32(23)16-19)17-4-5-22(28-14-17)31-10-7-25(2,8-11-31)30-24(33)21-6-9-27-21;/h4-5,12,14-16,21,27H,3,6-11H2,1-2H3,(H,30,33);1H2/t21-;/m0./s1.
What are the key properties of (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane?
(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane has a molecular weight of 493.64 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane is sourced from PubChem (CID 167661379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).