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

C16H16ClN5O2 — CID 118365248

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)ncc12
InChIInChI=1S/C16H16ClN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1
InChIKeyJJJGBIBALKOLAE-SECBINFHSA-N
MW345.79 g/mol
LogP3.50
Rot. Bonds4

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

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365248) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365248
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)ncc12
InChIInChI=1S/C16H16ClN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1
InChIKeyJJJGBIBALKOLAE-SECBINFHSA-N
XLogP3.50
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365248) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)ncc12.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is JJJGBIBALKOLAE-SECBINFHSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9(10-4-3-5-11(17)6-10)19-16(23)20-14-7-13-12(8-18-14)15(24-2)22-21-13/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 345.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).