4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C26H22Cl2N6O2 — CID 122442658

IUPAC4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ccnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C26H22Cl2N6O2/c1-16-23-24(28)21(26(35)31-19-7-5-18(27)6-8-19)13-30-25(23)34(32-16)15-22-29-11-12-33(22)14-17-3-9-20(36-2)10-4-17/h3-13H,14-15H2,1-2H3,(H,31,35)
InChIKeyHNNJJHDSSDHJMG-UHFFFAOYSA-N
MW521.41 g/mol
LogP5.60
Rot. Bonds7

About 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122442658) has the molecular formula C26H22Cl2N6O2 and a molecular weight of 521.41 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122442658
Molecular FormulaC26H22Cl2N6O2
Molecular Weight521.41 g/mol
Exact Mass520.12
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2ccnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1
InChIInChI=1S/C26H22Cl2N6O2/c1-16-23-24(28)21(26(35)31-19-7-5-18(27)6-8-19)13-30-25(23)34(32-16)15-22-29-11-12-33(22)14-17-3-9-20(36-2)10-4-17/h3-13H,14-15H2,1-2H3,(H,31,35)
InChIKeyHNNJJHDSSDHJMG-UHFFFAOYSA-N
XLogP5.60
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2,3,4,7,8-pentaaza-cyclopenta[a]naphthalen-6-yl]-1H-imidazole-4-carboxylic acid methylamide
CID 9805655
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Gdc-4379
CID 135378781
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CID 10345264
4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 20709323
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(6-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 44426961
N-[3-(5-chloro-2-propan-2-yloxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496662
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122442658) is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Cn2ccnc2Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HNNJJHDSSDHJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N6O2/c1-16-23-24(28)21(26(35)31-19-7-5-18(27)6-8-19)13-30-25(23)34(32-16)15-22-29-11-12-33(22)14-17-3-9-20(36-2)10-4-17/h3-13H,14-15H2,1-2H3,(H,31,35).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 521.41 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122442658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).