1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea

C20H17ClN6O — CID 11710909

IUPAC1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21
InChIInChI=1S/C20H17ClN6O/c1-27-17-11-23-10-16(18(17)19(22)26-27)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)9-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28)
InChIKeyUUVMNPKFPGJBNX-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.51
Rot. Bonds3

About 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea

1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 11710909) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID11710909
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21
InChIInChI=1S/C20H17ClN6O/c1-27-17-11-23-10-16(18(17)19(22)26-27)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)9-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28)
InChIKeyUUVMNPKFPGJBNX-UHFFFAOYSA-N
XLogP4.51
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea
CID 11494558
1-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11495686
1-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-methylphenyl)urea
CID 11544961
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
1-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 11717763
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415
1-(3,5-dichlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093258
1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093263
N-{2-[3-chloro-5-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]phenyl}acetamide
CID 25093264
4-[2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 16026256
1-(3,5-Dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164623189
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11523735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (CID 11710909) is 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21.
What is the InChIKey of 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is UUVMNPKFPGJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-27-17-11-23-10-16(18(17)19(22)26-27)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)9-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28).
What are the key properties of 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 392.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 11710909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).