1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile

C25H28N8O — CID 178171501

IUPAC1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
SMILESCCN1CCN(c2ccc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)cnn3c2)CC1
InChIInChI=1S/C25H28N8O/c1-4-30-9-11-31(12-10-30)20-5-8-24-22(15-27-32(24)16-20)23-7-6-21(18(3)34)25(28-23)33-17(2)13-19(14-26)29-33/h5-8,13,15-16,18,34H,4,9-12H2,1-3H3
InChIKeyITWGPXLMYMVOEB-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.96
Rot. Bonds5

About 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile

1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile (PubChem CID 178171501) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
PubChem CID178171501
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
SMILESCCN1CCN(c2ccc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)cnn3c2)CC1
InChIInChI=1S/C25H28N8O/c1-4-30-9-11-31(12-10-30)20-5-8-24-22(15-27-32(24)16-20)23-7-6-21(18(3)34)25(28-23)33-17(2)13-19(14-26)29-33/h5-8,13,15-16,18,34H,4,9-12H2,1-3H3
InChIKeyITWGPXLMYMVOEB-UHFFFAOYSA-N
XLogP2.96
TPSA98.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile with MolForge

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Related Compounds

1-[3-[(1S)-1-hydroxyethyl]-6-[6-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991715
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
1-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 166773600
3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
CID 62134517
4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidine-5-carbonitrile
CID 134576032
2-[5-(4-ethylpiperazin-1-yl)benzimidazol-1-yl]acetic acid
CID 83972284
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)-1,3-benzothiazole
CID 50896135
4-(3-methylpyrazolo[1,5-a]pyridin-6-yl)morpholine
CID 170144843
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
[(1S)-1-[2-(3-cyano-5-methylpyrazol-1-yl)-6-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]-3-pyridinyl]ethyl] hydrogen phosphate
CID 178171389
1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]urea
CID 55570624

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?
The IUPAC name of 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile (CID 178171501) is 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?
The canonical SMILES for 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile is CCN1CCN(c2ccc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)cnn3c2)CC1.
What is the InChIKey of 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?
The InChIKey is ITWGPXLMYMVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-4-30-9-11-31(12-10-30)20-5-8-24-22(15-27-32(24)16-20)23-7-6-21(18(3)34)25(28-23)33-17(2)13-19(14-26)29-33/h5-8,13,15-16,18,34H,4,9-12H2,1-3H3.
What are the key properties of 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?
1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-3-(1-hydroxyethyl)-2-pyridinyl]-5-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 178171501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).