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

C31H33N9 — CID 126740171

IUPAC4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(C)(C)C)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H33N9/c1-31(2,3)28-7-5-22(15-33-28)19-38-9-11-39(12-10-38)29-8-6-23(16-34-29)27-13-24(26-18-35-37(4)20-26)21-40-30(27)25(14-32)17-36-40/h5-8,13,15-18,20-21H,9-12,19H2,1-4H3
InChIKeySNTOJXZWIAEJJJ-UHFFFAOYSA-N
MW531.67 g/mol
LogP4.68
Rot. Bonds5

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

4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740171) has the molecular formula C31H33N9 and a molecular weight of 531.67 g/mol. Its IUPAC name is 4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740171
Molecular FormulaC31H33N9
Molecular Weight531.67 g/mol
Exact Mass531.29
IUPAC Name4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(C)(C)C)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H33N9/c1-31(2,3)28-7-5-22(15-33-28)19-38-9-11-39(12-10-38)29-8-6-23(16-34-29)27-13-24(26-18-35-37(4)20-26)21-40-30(27)25(14-32)17-36-40/h5-8,13,15-18,20-21H,9-12,19H2,1-4H3
InChIKeySNTOJXZWIAEJJJ-UHFFFAOYSA-N
XLogP4.68
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.67
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[(6-tert-butyl-3-pyridinyl)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-[(6-tert-butyl-3-pyridinyl)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-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740171) is 4-[6-[4-[(6-tert-butyl-3-pyridinyl)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-[(6-tert-butyl-3-pyridinyl)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-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(C)(C)C)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SNTOJXZWIAEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9/c1-31(2,3)28-7-5-22(15-33-28)19-38-9-11-39(12-10-38)29-8-6-23(16-34-29)27-13-24(26-18-35-37(4)20-26)21-40-30(27)25(14-32)17-36-40/h5-8,13,15-18,20-21H,9-12,19H2,1-4H3.
What are the key properties of 4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 531.67 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).