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

C30H27N7O — CID 146889195

IUPAC4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1
InChIInChI=1S/C30H27N7O/c1-19-27(22-16-34-36(18-22)23-3-5-24(38)6-4-23)15-30-33-17-29(37(30)35-19)26-10-13-32-28-14-21(2-7-25(26)28)20-8-11-31-12-9-20/h2,7-18,23-24,38H,3-6H2,1H3
InChIKeySYTUWFBLTKCXLJ-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.65
Rot. Bonds4

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

4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 146889195) has the molecular formula C30H27N7O and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-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-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID146889195
Molecular FormulaC30H27N7O
Molecular Weight501.59 g/mol
Exact Mass501.23
IUPAC Name4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1
InChIInChI=1S/C30H27N7O/c1-19-27(22-16-34-36(18-22)23-3-5-24(38)6-4-23)15-30-33-17-29(37(30)35-19)26-10-13-32-28-14-21(2-7-25(26)28)20-8-11-31-12-9-20/h2,7-18,23-24,38H,3-6H2,1H3
InChIKeySYTUWFBLTKCXLJ-UHFFFAOYSA-N
XLogP5.65
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-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-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 146889195) is 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-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-4-ylquinolin-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-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1cnn(C2CCC(O)CC2)c1.
What is the InChIKey of 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is SYTUWFBLTKCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O/c1-19-27(22-16-34-36(18-22)23-3-5-24(38)6-4-23)15-30-33-17-29(37(30)35-19)26-10-13-32-28-14-21(2-7-25(26)28)20-8-11-31-12-9-20/h2,7-18,23-24,38H,3-6H2,1H3.
What are the key properties of 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 501.59 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 146889195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).