2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole

C24H27N5 — CID 137373976

IUPAC2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
SMILESCc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(-c2ccc3cn(C)nc3c2)n1
InChIInChI=1S/C24H27N5/c1-17-6-9-21(20-13-25-29(15-20)16-24(2)10-4-5-11-24)23(26-17)18-7-8-19-14-28(3)27-22(19)12-18/h6-9,12-15H,4-5,10-11,16H2,1-3H3
InChIKeyQZGNLXFQEJBPFC-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.39
Rot. Bonds4

About 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole

2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole (PubChem CID 137373976) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole.

Molecular Properties

Compound Name2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
PubChem CID137373976
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
SMILESCc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(-c2ccc3cn(C)nc3c2)n1
InChIInChI=1S/C24H27N5/c1-17-6-9-21(20-13-25-29(15-20)16-24(2)10-4-5-11-24)23(26-17)18-7-8-19-14-28(3)27-22(19)12-18/h6-9,12-15H,4-5,10-11,16H2,1-3H3
InChIKeyQZGNLXFQEJBPFC-UHFFFAOYSA-N
XLogP5.39
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole?
The IUPAC name of 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole (CID 137373976) is 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole.
What is the SMILES notation for 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole?
The canonical SMILES for 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole is Cc1ccc(-c2cnn(CC3(C)CCCC3)c2)c(-c2ccc3cn(C)nc3c2)n1.
What is the InChIKey of 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole?
The InChIKey is QZGNLXFQEJBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-17-6-9-21(20-13-25-29(15-20)16-24(2)10-4-5-11-24)23(26-17)18-7-8-19-14-28(3)27-22(19)12-18/h6-9,12-15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole?
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole has a molecular weight of 385.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole is sourced from PubChem (CID 137373976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).