5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine

C18H17ClF2IN6OP — CID 142334530

IUPAC5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2NC(C(F)F)N3PI)cccc1-c1ccn(C)n1
InChIInChI=1S/C18H17ClF2IN6OP/c1-27-7-6-10(26-27)9-4-3-5-11(15(9)29-2)23-12-8-13(19)24-17-14(12)25-18(16(20)21)28(17)30-22/h3-8,16,18,25,30H,1-2H3,(H,23,24)
InChIKeyVKFMVTBTIQMJHW-UHFFFAOYSA-N
MW564.70 g/mol
LogP5.65
Rot. Bonds6

About 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine (PubChem CID 142334530) has the molecular formula C18H17ClF2IN6OP and a molecular weight of 564.70 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine
PubChem CID142334530
Molecular FormulaC18H17ClF2IN6OP
Molecular Weight564.70 g/mol
Exact Mass563.99
IUPAC Name5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2NC(C(F)F)N3PI)cccc1-c1ccn(C)n1
InChIInChI=1S/C18H17ClF2IN6OP/c1-27-7-6-10(26-27)9-4-3-5-11(15(9)29-2)23-12-8-13(19)24-17-14(12)25-18(16(20)21)28(17)30-22/h3-8,16,18,25,30H,1-2H3,(H,23,24)
InChIKeyVKFMVTBTIQMJHW-UHFFFAOYSA-N
XLogP5.65
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334529
6-chloro-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438612
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-3-iodophosphanyl-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334534
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
5-chloro-2-(difluoromethyl)-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455560
3-[2-(difluoromethoxy)-3-methylphenyl]-1-methylpyrazole
CID 167101169
6-chloro-4-[2-methoxy-3-(1-methylimidazo[2,1-e]pyrazol-6-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170781741
6-chloro-N-(3-fluoro-2-methoxyphenyl)-2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-amine
CID 166647538
3-(2-methoxy-3-propylphenyl)-1-methylpyrazole
CID 170279021
6-chloro-4-[3-(1H-imidazol-5-yl)-2-methoxyanilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 142329790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine (CID 142334530) is 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2NC(C(F)F)N3PI)cccc1-c1ccn(C)n1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine?
The InChIKey is VKFMVTBTIQMJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2IN6OP/c1-27-7-6-10(26-27)9-4-3-5-11(15(9)29-2)23-12-8-13(19)24-17-14(12)25-18(16(20)21)28(17)30-22/h3-8,16,18,25,30H,1-2H3,(H,23,24).
What are the key properties of 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine?
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine has a molecular weight of 564.70 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142334530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).