1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea

C16H17ClN6O — CID 118380769

IUPAC1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN6O/c1-2-12(9-3-5-10(17)6-4-9)20-16(24)21-14-7-13-11(8-19-14)15(18)23-22-13/h3-8,12H,2H2,1H3,(H3,18,22,23)(H2,19,20,21,24)/t12-/m1/s1
InChIKeyRSUCCRNRPQVBGE-GFCCVEGCSA-N
MW344.81 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea (PubChem CID 118380769) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea
PubChem CID118380769
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN6O/c1-2-12(9-3-5-10(17)6-4-9)20-16(24)21-14-7-13-11(8-19-14)15(18)23-22-13/h3-8,12H,2H2,1H3,(H3,18,22,23)(H2,19,20,21,24)/t12-/m1/s1
InChIKeyRSUCCRNRPQVBGE-GFCCVEGCSA-N
XLogP3.47
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
1-[3-(2-fluoro-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044895
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea?
The IUPAC name of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea (CID 118380769) is 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea.
What is the SMILES notation for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea?
The canonical SMILES for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea is CC[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea?
The InChIKey is RSUCCRNRPQVBGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-2-12(9-3-5-10(17)6-4-9)20-16(24)21-14-7-13-11(8-19-14)15(18)23-22-13/h3-8,12H,2H2,1H3,(H3,18,22,23)(H2,19,20,21,24)/t12-/m1/s1.
What are the key properties of 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea?
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea has a molecular weight of 344.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-(4-chlorophenyl)propyl]urea is sourced from PubChem (CID 118380769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).