N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide

C19H19F4N5O — CID 162561573

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)C1=CC(c2cnc3cccnn23)=C(C(F)F)C1
InChIInChI=1S/C19H19F4N5O/c20-17(21)12-8-10(18(29)27-16-13(24)3-1-5-19(16,22)23)7-11(12)14-9-25-15-4-2-6-26-28(14)15/h2,4,6-7,9,13,16-17H,1,3,5,8,24H2,(H,27,29)/t13-,16+/m0/s1
InChIKeyNETRMDBYYICPNK-XJKSGUPXSA-N
MW409.39 g/mol
LogP2.71
Rot. Bonds4

About N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 162561573) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide
PubChem CID162561573
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)C1=CC(c2cnc3cccnn23)=C(C(F)F)C1
InChIInChI=1S/C19H19F4N5O/c20-17(21)12-8-10(18(29)27-16-13(24)3-1-5-19(16,22)23)7-11(12)14-9-25-15-4-2-6-26-28(14)15/h2,4,6-7,9,13,16-17H,1,3,5,8,24H2,(H,27,29)/t13-,16+/m0/s1
InChIKeyNETRMDBYYICPNK-XJKSGUPXSA-N
XLogP2.71
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-2,2-difluorocyclohexyl)-5-ethenyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 77187433
N-(6-amino-2-fluoro-2-methylcyclohexyl)-5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 91481298
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 46842485
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
CID 46842486
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[7-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxamide
CID 87277677
N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 67123066
N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide
CID 91181312
3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
CID 140573942
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385870
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylthiophene-2-carboxamide
CID 86692126
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-(2-cyclopropylethynyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385875

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide (CID 162561573) is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide is N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)C1=CC(c2cnc3cccnn23)=C(C(F)F)C1.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is NETRMDBYYICPNK-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H19F4N5O/c20-17(21)12-8-10(18(29)27-16-13(24)3-1-5-19(16,22)23)7-11(12)14-9-25-15-4-2-6-26-28(14)15/h2,4,6-7,9,13,16-17H,1,3,5,8,24H2,(H,27,29)/t13-,16+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide?
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(difluoromethyl)-3-imidazo[1,2-b]pyridazin-3-ylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 162561573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).