N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide

C30H35F5N6O3 — CID 157030706

IUPACN-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)N[C@H](c2cn3ncc([C@H](NC(=O)CCC(F)(F)F)C4CC4)cc3n2)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C30H35F5N6O3/c1-17(2)44-25-5-3-4-21(38-25)28(43)40-27(19-8-11-29(31,32)12-9-19)22-16-41-23(37-22)14-20(15-36-41)26(18-6-7-18)39-24(42)10-13-30(33,34)35/h3-5,14-19,26-27H,6-13H2,1-2H3,(H,39,42)(H,40,43)/t26-,27+/m1/s1
InChIKeyOXMLDEDXIKFWFJ-SXOMAYOGSA-N
MW622.64 g/mol
LogP6.12
Rot. Bonds11

About N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide

N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide (PubChem CID 157030706) has the molecular formula C30H35F5N6O3 and a molecular weight of 622.64 g/mol. Its IUPAC name is N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide
PubChem CID157030706
Molecular FormulaC30H35F5N6O3
Molecular Weight622.64 g/mol
Exact Mass622.27
IUPAC NameN-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)N[C@H](c2cn3ncc([C@H](NC(=O)CCC(F)(F)F)C4CC4)cc3n2)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C30H35F5N6O3/c1-17(2)44-25-5-3-4-21(38-25)28(43)40-27(19-8-11-29(31,32)12-9-19)22-16-41-23(37-22)14-20(15-36-41)26(18-6-7-18)39-24(42)10-13-30(33,34)35/h3-5,14-19,26-27H,6-13H2,1-2H3,(H,39,42)(H,40,43)/t26-,27+/m1/s1
InChIKeyOXMLDEDXIKFWFJ-SXOMAYOGSA-N
XLogP6.12
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.64
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-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 N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide (CID 157030706) is N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide is CC(C)Oc1cccc(C(=O)N[C@H](c2cn3ncc([C@H](NC(=O)CCC(F)(F)F)C4CC4)cc3n2)C2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is OXMLDEDXIKFWFJ-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H35F5N6O3/c1-17(2)44-25-5-3-4-21(38-25)28(43)40-27(19-8-11-29(31,32)12-9-19)22-16-41-23(37-22)14-20(15-36-41)26(18-6-7-18)39-24(42)10-13-30(33,34)35/h3-5,14-19,26-27H,6-13H2,1-2H3,(H,39,42)(H,40,43)/t26-,27+/m1/s1.
What are the key properties of N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide?
N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide has a molecular weight of 622.64 g/mol, XLogP of 6.12, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-6-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 157030706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).