5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane

C14H17ClF2IN4P — CID 142334409

IUPAC5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane
SMILESC=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.CC
InChIInChI=1S/C12H11ClF2IN4P.C2H6/c1-3-4-6(2)17-7-5-8(13)18-11-9(7)19-12(10(14)15)20(11)21-16;1-2/h3-5,10,21H,1H2,2H3,(H,17,18);1-2H3/b6-4+;
InChIKeyDIBHJNLLIBKLEN-CVDVRWGVSA-N
MW472.65 g/mol
LogP6.34
Rot. Bonds5

About 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane

5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane (PubChem CID 142334409) has the molecular formula C14H17ClF2IN4P and a molecular weight of 472.65 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane
PubChem CID142334409
Molecular FormulaC14H17ClF2IN4P
Molecular Weight472.65 g/mol
Exact Mass471.99
IUPAC Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane
SMILESC=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.CC
InChIInChI=1S/C12H11ClF2IN4P.C2H6/c1-3-4-6(2)17-7-5-8(13)18-11-9(7)19-12(10(14)15)20(11)21-16;1-2/h3-5,10,21H,1H2,2H3,(H,17,18);1-2H3/b6-4+;
InChIKeyDIBHJNLLIBKLEN-CVDVRWGVSA-N
XLogP6.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-iodophosphanyl-2-methyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine
CID 142334449
[5-chloro-2-(difluoromethyl)-7-propan-2-ylimidazo[4,5-b]pyridin-3-yl]-iodophosphane
CID 142334082
5-chloro-N-(4-chloro-2-methylsulfanylphenyl)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
CID 142334712
5-chloro-2-(difluoromethyl)-N-[4-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334852
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-7-amine;ethane;oxane
CID 142334795
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334704
5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142335052
5-chloro-2-(difluoromethyl)-N-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine
CID 142334567
ethane;methyl 3-[[5-(cyclopropanecarbonylamino)-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoate
CID 142334434
N-[2-(difluoromethyl)-3-iodophosphanyl-7-[4-(1-methoxyethyl)-2-methylsulfanylanilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142334860
N-[7-[4-(azetidine-1-carbonyl)-2-methoxyanilino]-2-(difluoromethyl)-3-iodophosphanylimidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134512892
5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxan-4-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334883

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane (CID 142334409) is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane is C=C/C=C(\C)Nc1cc(Cl)nc2c1nc(C(F)F)n2PI.CC.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane?
The InChIKey is DIBHJNLLIBKLEN-CVDVRWGVSA-N. The full InChI is InChI=1S/C12H11ClF2IN4P.C2H6/c1-3-4-6(2)17-7-5-8(13)18-11-9(7)19-12(10(14)15)20(11)21-16;1-2/h3-5,10,21H,1H2,2H3,(H,17,18);1-2H3/b6-4+;.
What are the key properties of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane?
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane has a molecular weight of 472.65 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[(2E)-penta-2,4-dien-2-yl]imidazo[4,5-b]pyridin-7-amine;ethane is sourced from PubChem (CID 142334409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).