6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C26H27N9O2 — CID 171074759

IUPAC6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC/N=C/C(=C\N)/C=C(\C#N)C(=O)N1CCC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)CC1
InChIInChI=1S/C26H27N9O2/c1-17-23(20-9-24(37-3)25-21(12-29)14-31-34(25)16-20)15-32-35(17)22-4-6-33(7-5-22)26(36)19(11-28)8-18(10-27)13-30-2/h8-10,13-16,22H,4-7,27H2,1-3H3/b18-10-,19-8+,30-13+
InChIKeyUVPVFMHHVFXMOL-JBMIEDOOSA-N
MW497.56 g/mol
LogP2.54
Rot. Bonds6

About 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171074759) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171074759
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC Name6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC/N=C/C(=C\N)/C=C(\C#N)C(=O)N1CCC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)CC1
InChIInChI=1S/C26H27N9O2/c1-17-23(20-9-24(37-3)25-21(12-29)14-31-34(25)16-20)15-32-35(17)22-4-6-33(7-5-22)26(36)19(11-28)8-18(10-27)13-30-2/h8-10,13-16,22H,4-7,27H2,1-3H3/b18-10-,19-8+,30-13+
InChIKeyUVPVFMHHVFXMOL-JBMIEDOOSA-N
XLogP2.54
TPSA150.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-[1-[1-[(E)-2-cyano-4-(oxan-4-ylidene)but-2-enoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074797
4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154951019
4-methoxy-6-[5-methyl-1-[1-(3-methyl-1-prop-2-enoylazetidine-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154950958
6-[1-[1-[1-[(E)-but-2-enoyl]-3-fluoroazetidine-3-carbonyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175664815
4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074750
N-[(1S,3S)-3-[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]cyclopentyl]prop-2-enamide
CID 171074913
4-methoxy-6-[5-methyl-1-[1-[(3R)-1-methylpyrrolidin-3-yl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921421
6-[1-[1-[(E)-2-cyano-1-hydroxy-3-(oxan-4-yl)prop-2-enyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074881
N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide
CID 171074861
tert-butyl 4-[4-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 174207032
tert-butyl 4-[4-[3-cyano-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 164921131
4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride
CID 164705096

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171074759) is 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is C/N=C/C(=C\N)/C=C(\C#N)C(=O)N1CCC(n2ncc(-c3cc(OC)c4c(C#N)cnn4c3)c2C)CC1.
What is the InChIKey of 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UVPVFMHHVFXMOL-JBMIEDOOSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-17-23(20-9-24(37-3)25-21(12-29)14-31-34(25)16-20)15-32-35(17)22-4-6-33(7-5-22)26(36)19(11-28)8-18(10-27)13-30-2/h8-10,13-16,22H,4-7,27H2,1-3H3/b18-10-,19-8+,30-13+.
What are the key properties of 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 497.56 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-[(2E,4Z)-5-amino-2-cyano-4-(methyliminomethyl)penta-2,4-dienoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171074759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).