5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane

C27H43ClIN6OP — CID 142334197

IUPAC5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
SMILESCC.CC.CC.CC.COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C19H19ClIN6OP.4C2H6/c1-10-9-26(3)25-17(10)12-5-6-13(15(7-12)28-4)23-14-8-16(20)24-19-18(14)22-11(2)27(19)29-21;4*1-2/h5-9,29H,1-4H3,(H,23,24);4*1-2H3
InChIKeyZOBXRTPJUHTLQU-UHFFFAOYSA-N
MW661.01 g/mol
LogP9.75
Rot. Bonds5

About 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane

5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane (PubChem CID 142334197) has the molecular formula C27H43ClIN6OP and a molecular weight of 661.01 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
PubChem CID142334197
Molecular FormulaC27H43ClIN6OP
Molecular Weight661.01 g/mol
Exact Mass660.20
IUPAC Name5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
SMILESCC.CC.CC.CC.COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI
InChIInChI=1S/C19H19ClIN6OP.4C2H6/c1-10-9-26(3)25-17(10)12-5-6-13(15(7-12)28-4)23-14-8-16(20)24-19-18(14)22-11(2)27(19)29-21;4*1-2/h5-9,29H,1-4H3,(H,23,24);4*1-2H3
InChIKeyZOBXRTPJUHTLQU-UHFFFAOYSA-N
XLogP9.75
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.01
LogP ≤ 59.75
H-Bond Donors ≤ 51
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

N-[7-[4-(1,5-dimethylpyrazol-3-yl)-2-methoxyanilino]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456255
5-chloro-3-iodophosphanyl-2-methyl-N-[4-(1-methylimidazol-4-yl)-2-methylsulfanylphenyl]imidazo[4,5-b]pyridin-7-amine
CID 142334162
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-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfinamide;ethane
CID 142334862
6-[[3-iodophosphanyl-7-[2-methoxy-4-(3-methylimidazol-4-yl)anilino]-2-methylimidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 142334182
5-chloro-3-iodophosphanyl-2-methyl-N-[2-methylsulfanyl-4-(oxan-4-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334883
N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane
CID 142334502
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-2-methyl-N-[2-methylsulfanyl-4-(oxolan-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334078
5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334913
1-cyclopropyl-2-[7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-2-methyl-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
CID 159046594
N-[7-[4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane?
The IUPAC name of 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane (CID 142334197) is 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane.
What is the SMILES notation for 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane?
The canonical SMILES for 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane is CC.CC.CC.CC.COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2PI.
What is the InChIKey of 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane?
The InChIKey is ZOBXRTPJUHTLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClIN6OP.4C2H6/c1-10-9-26(3)25-17(10)12-5-6-13(15(7-12)28-4)23-14-8-16(20)24-19-18(14)22-11(2)27(19)29-21;4*1-2/h5-9,29H,1-4H3,(H,23,24);4*1-2H3.
What are the key properties of 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane?
5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane has a molecular weight of 661.01 g/mol, XLogP of 9.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane is sourced from PubChem (CID 142334197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).