4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

C26H29N7O — CID 167580077

IUPAC4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3
InChIKeyHBKLAVWZGDIIFD-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.57
Rot. Bonds6

About 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (PubChem CID 167580077) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
PubChem CID167580077
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3
InChIKeyHBKLAVWZGDIIFD-UHFFFAOYSA-N
XLogP3.57
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one with MolForge

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Related Compounds

1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
4-Acetyl-1-(3-{4-Amino-5-[1-(2,2,2-Trifluoroethyl)-1h-Pyrazol-5-Yl]pyrrolo[2,1-F][1,2,4]triazin-7-Yl}phenyl)-3,3-Dimethylpiperazin-2-One
CID 127053611
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032839
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2-pyridin-3-ylpiperazin-1-yl]ethanone
CID 130363082
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3-pyridin-3-ylpiperazin-1-yl]ethanone
CID 130363172
US10023576, Example 11
CID 132209468
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
US11111247, Example 17
CID 146478808
1-[7-(Difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-4-(pyridin-2-YL)piperazine
CID 1094006
Vustanaciclib
CID 155282305

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (CID 167580077) is 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is CCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is HBKLAVWZGDIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3.
What are the key properties of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 455.57 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 167580077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).