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

C16H15ClFN5O2 — CID 118365075

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C16H15ClFN5O2/c1-8(9-3-4-12(18)11(17)5-9)20-16(24)21-14-6-13-10(7-19-14)15(25-2)23-22-13/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)/t8-/m1/s1
InChIKeyUXSSTFYMEUFRPL-MRVPVSSYSA-N
MW363.78 g/mol
LogP3.64
Rot. Bonds4

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

1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365075) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365075
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12
InChIInChI=1S/C16H15ClFN5O2/c1-8(9-3-4-12(18)11(17)5-9)20-16(24)21-14-6-13-10(7-19-14)15(25-2)23-22-13/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)/t8-/m1/s1
InChIKeyUXSSTFYMEUFRPL-MRVPVSSYSA-N
XLogP3.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.64
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-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365075) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is UXSSTFYMEUFRPL-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-8(9-3-4-12(18)11(17)5-9)20-16(24)21-14-6-13-10(7-19-14)15(25-2)23-22-13/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 363.78 g/mol, XLogP of 3.64, 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-chloro-4-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).