4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol

C29H26N8O — CID 148901223

IUPAC4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCc1nn2c(-c3ccnc4nc(-c5ccccn5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1
InChIInChI=1S/C29H26N8O/c1-18-24(19-15-33-36(17-19)20-5-7-21(38)8-6-20)14-28-32-16-27(37(28)35-18)22-11-13-31-29-23(22)9-10-26(34-29)25-4-2-3-12-30-25/h2-4,9-17,20-21,38H,5-8H2,1H3
InChIKeyPGVIKSQWMLKBNR-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.05
Rot. Bonds4

About 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 148901223) has the molecular formula C29H26N8O and a molecular weight of 502.58 g/mol. Its IUPAC name is 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID148901223
Molecular FormulaC29H26N8O
Molecular Weight502.58 g/mol
Exact Mass502.22
IUPAC Name4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCc1nn2c(-c3ccnc4nc(-c5ccccn5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1
InChIInChI=1S/C29H26N8O/c1-18-24(19-15-33-36(17-19)20-5-7-21(38)8-6-20)14-28-32-16-27(37(28)35-18)22-11-13-31-29-23(22)9-10-26(34-29)25-4-2-3-12-30-25/h2-4,9-17,20-21,38H,5-8H2,1H3
InChIKeyPGVIKSQWMLKBNR-UHFFFAOYSA-N
XLogP5.05
TPSA106.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 148901223) is 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol is Cc1nn2c(-c3ccnc4nc(-c5ccccn5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1.
What is the InChIKey of 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is PGVIKSQWMLKBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O/c1-18-24(19-15-33-36(17-19)20-5-7-21(38)8-6-20)14-28-32-16-27(37(28)35-18)22-11-13-31-29-23(22)9-10-26(34-29)25-4-2-3-12-30-25/h2-4,9-17,20-21,38H,5-8H2,1H3.
What are the key properties of 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 502.58 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-methyl-3-(7-pyridin-2-yl-1,8-naphthyridin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 148901223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).