6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C34H35N9O — CID 126740271

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C34H35N9O/c1-39-23-29(22-37-39)27-18-30(32-28(19-35)21-38-43(32)24-27)26-10-11-31(36-20-26)40-14-16-42(17-15-40)34(44)33(25-8-4-2-5-9-25)41-12-6-3-7-13-41/h2,4-5,8-11,18,20-24,33H,3,6-7,12-17H2,1H3
InChIKeyCLRFEHQEPWODBO-UHFFFAOYSA-N
MW585.72 g/mol
LogP4.54
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740271) has the molecular formula C34H35N9O and a molecular weight of 585.72 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740271
Molecular FormulaC34H35N9O
Molecular Weight585.72 g/mol
Exact Mass585.30
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C34H35N9O/c1-39-23-29(22-37-39)27-18-30(32-28(19-35)21-38-43(32)24-27)26-10-11-31(36-20-26)40-14-16-42(17-15-40)34(44)33(25-8-4-2-5-9-25)41-12-6-3-7-13-41/h2,4-5,8-11,18,20-24,33H,3,6-7,12-17H2,1H3
InChIKeyCLRFEHQEPWODBO-UHFFFAOYSA-N
XLogP4.54
TPSA98.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

US10300056, Example 1
CID 129072547
Vustanaciclib
CID 155282305
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156013389
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 156014376
1-methyl-3-propan-2-yl-4-[3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484410
(3S)-3-amino-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridyl]piperidin-2-one
CID 72714481
US10759793, Example 21
CID 124125717
US10759793, Example 18
CID 124125809
US10759793, Example 87
CID 124125918
US10759793, Example 20
CID 134587626
Frevecitinib
CID 67123870
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
CID 90656208

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740271) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(c5ccccc5)N5CCCCC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CLRFEHQEPWODBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N9O/c1-39-23-29(22-37-39)27-18-30(32-28(19-35)21-38-43(32)24-27)26-10-11-31(36-20-26)40-14-16-42(17-15-40)34(44)33(25-8-4-2-5-9-25)41-12-6-3-7-13-41/h2,4-5,8-11,18,20-24,33H,3,6-7,12-17H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 585.72 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenyl-2-piperidin-1-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).