1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C15H13ClFN5O2 — CID 118365210

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C15H13ClFN5O2/c1-24-14-9-7-18-13(5-12(9)21-22-14)20-15(23)19-6-8-2-3-11(17)10(16)4-8/h2-5,7H,6H2,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyNSQHLCGNWOVCKH-UHFFFAOYSA-N
MW349.75 g/mol
LogP3.08
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365210) has the molecular formula C15H13ClFN5O2 and a molecular weight of 349.75 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365210
Molecular FormulaC15H13ClFN5O2
Molecular Weight349.75 g/mol
Exact Mass349.07
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C15H13ClFN5O2/c1-24-14-9-7-18-13(5-12(9)21-22-14)20-15(23)19-6-8-2-3-11(17)10(16)4-8/h2-5,7H,6H2,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyNSQHLCGNWOVCKH-UHFFFAOYSA-N
XLogP3.08
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365210) is 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)NCc3ccc(F)c(Cl)c3)ncc12.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is NSQHLCGNWOVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O2/c1-24-14-9-7-18-13(5-12(9)21-22-14)20-15(23)19-6-8-2-3-11(17)10(16)4-8/h2-5,7H,6H2,1H3,(H,21,22)(H2,18,19,20,23).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 349.75 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).