3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide

C19H17ClN4O — CID 129153441

IUPAC3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESC[C@@H]1C2CC1(NC(=O)c1nc3cccnn3c1-c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H17ClN4O/c1-11-13-9-19(11,10-13)23-18(25)16-17(12-4-6-14(20)7-5-12)24-15(22-16)3-2-8-21-24/h2-8,11,13H,9-10H2,1H3,(H,23,25)/t11-,13?,19?/m1/s1
InChIKeyKPQWQGFNFOGMRU-CQPICDMCSA-N
MW352.83 g/mol
LogP3.58
Rot. Bonds3

About 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 129153441) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID129153441
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESC[C@@H]1C2CC1(NC(=O)c1nc3cccnn3c1-c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H17ClN4O/c1-11-13-9-19(11,10-13)23-18(25)16-17(12-4-6-14(20)7-5-12)24-15(22-16)3-2-8-21-24/h2-8,11,13H,9-10H2,1H3,(H,23,25)/t11-,13?,19?/m1/s1
InChIKeyKPQWQGFNFOGMRU-CQPICDMCSA-N
XLogP3.58
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 129153441) is 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide is C[C@@H]1C2CC1(NC(=O)c1nc3cccnn3c1-c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is KPQWQGFNFOGMRU-CQPICDMCSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-11-13-9-19(11,10-13)23-18(25)16-17(12-4-6-14(20)7-5-12)24-15(22-16)3-2-8-21-24/h2-8,11,13H,9-10H2,1H3,(H,23,25)/t11-,13?,19?/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 129153441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).