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

C17H18ClN5O2 — CID 118365245

IUPAC1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2/c1-3-13(10-4-6-11(18)7-5-10)20-17(24)21-15-8-14-12(9-19-15)16(25-2)23-22-14/h4-9,13H,3H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t13-/m1/s1
InChIKeyZNLKJQKSPJQTAI-CYBMUJFWSA-N
MW359.82 g/mol
LogP3.89
Rot. Bonds5

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

1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365245) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365245
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2/c1-3-13(10-4-6-11(18)7-5-10)20-17(24)21-15-8-14-12(9-19-15)16(25-2)23-22-14/h4-9,13H,3H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t13-/m1/s1
InChIKeyZNLKJQKSPJQTAI-CYBMUJFWSA-N
XLogP3.89
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365245) is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is CC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is ZNLKJQKSPJQTAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-3-13(10-4-6-11(18)7-5-10)20-17(24)21-15-8-14-12(9-19-15)16(25-2)23-22-14/h4-9,13H,3H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 359.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).