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

C19H15ClN6O — CID 11523735

IUPAC1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)17-16-15(8-9-22-17)25-26-18(16)21/h1-10H,(H3,21,25,26)(H2,23,24,27)
InChIKeyLQMRUEJGBJTXNT-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.50
Rot. Bonds3

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

1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 11523735) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID11523735
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
InChIInChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)17-16-15(8-9-22-17)25-26-18(16)21/h1-10H,(H3,21,25,26)(H2,23,24,27)
InChIKeyLQMRUEJGBJTXNT-UHFFFAOYSA-N
XLogP4.50
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea (CID 11523735) is 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is Nc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is LQMRUEJGBJTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-12-2-1-3-14(10-12)24-19(27)23-13-6-4-11(5-7-13)17-16-15(8-9-22-17)25-26-18(16)21/h1-10H,(H3,21,25,26)(H2,23,24,27).
What are the key properties of 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea?
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 378.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 11523735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).