4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H27N9O — CID 146660477

IUPAC4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C(C)C(=O)N1CC2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CN2C1
InChIInChI=1S/C27H27N9O/c1-18(2)27(37)34-15-23-6-7-33(16-35(23)17-34)25-5-4-19(10-29-25)24-8-20(22-12-30-32(3)13-22)14-36-26(24)21(9-28)11-31-36/h4-5,8,10-14,23H,1,6-7,15-17H2,2-3H3
InChIKeySNTSCAVNAAKBMW-UHFFFAOYSA-N
MW493.58 g/mol
LogP2.88
Rot. Bonds4

About 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660477) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146660477
Molecular FormulaC27H27N9O
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC Name4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C(C)C(=O)N1CC2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CN2C1
InChIInChI=1S/C27H27N9O/c1-18(2)27(37)34-15-23-6-7-33(16-35(23)17-34)25-5-4-19(10-29-25)24-8-20(22-12-30-32(3)13-22)14-36-26(24)21(9-28)11-31-36/h4-5,8,10-14,23H,1,6-7,15-17H2,2-3H3
InChIKeySNTSCAVNAAKBMW-UHFFFAOYSA-N
XLogP2.88
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667037
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[(3aS,6aR)-5-(2-hydroxy-3-methylbutanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163209163
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164
4-[6-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148655588
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
4-[6-[3-(3-methylbutanoyl)azetidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148588612
4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660352
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162371999
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide
CID 146661188

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660477) is 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(C)C(=O)N1CC2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CN2C1.
What is the InChIKey of 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SNTSCAVNAAKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O/c1-18(2)27(37)34-15-23-6-7-33(16-35(23)17-34)25-5-4-19(10-29-25)24-8-20(22-12-30-32(3)13-22)14-36-26(24)21(9-28)11-31-36/h4-5,8,10-14,23H,1,6-7,15-17H2,2-3H3.
What are the key properties of 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 493.58 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2-methylprop-2-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).