1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide

C32H34N6O2 — CID 146667039

IUPAC1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide
SMILESC=C(C)c1cccc(NC(=O)C2(CC)CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C32H34N6O2/c1-5-32(31(39)36-26-9-7-8-23(16-26)22(3)4)12-14-37(15-13-32)29-11-10-24(19-34-29)28-17-27(40-6-2)21-38-30(28)25(18-33)20-35-38/h7-11,16-17,19-21H,3,5-6,12-15H2,1-2,4H3,(H,36,39)
InChIKeyCQSCDNDZLQMSOC-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.34
Rot. Bonds8

About 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 146667039) has the molecular formula C32H34N6O2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide
PubChem CID146667039
Molecular FormulaC32H34N6O2
Molecular Weight534.66 g/mol
Exact Mass534.27
IUPAC Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide
SMILESC=C(C)c1cccc(NC(=O)C2(CC)CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1
InChIInChI=1S/C32H34N6O2/c1-5-32(31(39)36-26-9-7-8-23(16-26)22(3)4)12-14-37(15-13-32)29-11-10-24(19-34-29)28-17-27(40-6-2)21-38-30(28)25(18-33)20-35-38/h7-11,16-17,19-21H,3,5-6,12-15H2,1-2,4H3,(H,36,39)
InChIKeyCQSCDNDZLQMSOC-UHFFFAOYSA-N
XLogP6.34
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
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
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
(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
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxylic acid
CID 134434541
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436098
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152648631
1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 126740062

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide (CID 146667039) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide is C=C(C)c1cccc(NC(=O)C2(CC)CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)c1.
What is the InChIKey of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CQSCDNDZLQMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2/c1-5-32(31(39)36-26-9-7-8-23(16-26)22(3)4)12-14-37(15-13-32)29-11-10-24(19-34-29)28-17-27(40-6-2)21-38-30(28)25(18-33)20-35-38/h7-11,16-17,19-21H,3,5-6,12-15H2,1-2,4H3,(H,36,39).
What are the key properties of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide?
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(3-prop-1-en-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 146667039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).