1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine

C24H22N6O — CID 178075767

IUPAC1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3c2cnn3Cc2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22N6O/c1-17-14-29(16-26-17)22-9-8-19(12-23(22)31-2)28-24-20-13-27-30(21(20)10-11-25-24)15-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyKWOYCEOPHBCGCD-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.73
Rot. Bonds6

About 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine

1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine (PubChem CID 178075767) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine
PubChem CID178075767
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3c2cnn3Cc2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H22N6O/c1-17-14-29(16-26-17)22-9-8-19(12-23(22)31-2)28-24-20-13-27-30(21(20)10-11-25-24)15-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyKWOYCEOPHBCGCD-UHFFFAOYSA-N
XLogP4.73
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075746
3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 178075774
1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075743
4-bromo-2-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70269858
3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-6-amine
CID 178075751
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
1-[5-[benzyl(methyl)amino]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
CID 86291494
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
CID 24855735

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine (CID 178075767) is 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine is COc1cc(Nc2nccc3c2cnn3Cc2ccccc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is KWOYCEOPHBCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17-14-29(16-26-17)22-9-8-19(12-23(22)31-2)28-24-20-13-27-30(21(20)10-11-25-24)15-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine?
1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 178075767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).