6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide

C30H32FN7O2 — CID 146423222

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2ccncc2)CC1
InChIInChI=1S/C30H32FN7O2/c1-30(2,40)28(31)18-35-29(39)24-17-34-26(27-8-7-23-13-19(15-32)16-36-38(23)27)14-25(24)37-22-5-3-20(4-6-22)21-9-11-33-12-10-21/h7-14,16-17,20,22,28,40H,3-6,18H2,1-2H3,(H,34,37)(H,35,39)
InChIKeyFRMNIGNUPOYBMJ-UHFFFAOYSA-N
MW541.63 g/mol
LogP4.64
Rot. Bonds8

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide (PubChem CID 146423222) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide
PubChem CID146423222
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2ccncc2)CC1
InChIInChI=1S/C30H32FN7O2/c1-30(2,40)28(31)18-35-29(39)24-17-34-26(27-8-7-23-13-19(15-32)16-36-38(23)27)14-25(24)37-22-5-3-20(4-6-22)21-9-11-33-12-10-21/h7-14,16-17,20,22,28,40H,3-6,18H2,1-2H3,(H,34,37)(H,35,39)
InChIKeyFRMNIGNUPOYBMJ-UHFFFAOYSA-N
XLogP4.64
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide (CID 146423222) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2ccncc2)CC1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide?
The InChIKey is FRMNIGNUPOYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-30(2,40)28(31)18-35-29(39)24-17-34-26(27-8-7-23-13-19(15-32)16-36-38(23)27)14-25(24)37-22-5-3-20(4-6-22)21-9-11-33-12-10-21/h7-14,16-17,20,22,28,40H,3-6,18H2,1-2H3,(H,34,37)(H,35,39).
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide has a molecular weight of 541.63 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 146423222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).