4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28N10 — CID 126740013

IUPAC4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cnn1C
InChIInChI=1S/C27H28N10/c1-19-23(14-31-34(19)3)17-35-6-8-36(9-7-35)26-5-4-20(12-29-26)25-10-21(24-15-30-33(2)16-24)18-37-27(25)22(11-28)13-32-37/h4-5,10,12-16,18H,6-9,17H2,1-3H3
InChIKeyNIBKSGMVEGNIIF-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.03
Rot. Bonds5

About 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740013) has the molecular formula C27H28N10 and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740013
Molecular FormulaC27H28N10
Molecular Weight492.59 g/mol
Exact Mass492.25
IUPAC Name4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cnn1C
InChIInChI=1S/C27H28N10/c1-19-23(14-31-34(19)3)17-35-6-8-36(9-7-35)26-5-4-20(12-29-26)25-10-21(24-15-30-33(2)16-24)18-37-27(25)22(11-28)13-32-37/h4-5,10,12-16,18H,6-9,17H2,1-3H3
InChIKeyNIBKSGMVEGNIIF-UHFFFAOYSA-N
XLogP3.03
TPSA96.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740013) is 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cnn1C.
What is the InChIKey of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NIBKSGMVEGNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10/c1-19-23(14-31-34(19)3)17-35-6-8-36(9-7-35)26-5-4-20(12-29-26)25-10-21(24-15-30-33(2)16-24)18-37-27(25)22(11-28)13-32-37/h4-5,10,12-16,18H,6-9,17H2,1-3H3.
What are the key properties of 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 492.59 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).