1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea

C24H18ClF4N5O — CID 11634784

IUPAC1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2c(C3CC3)nc3ccnc(Cl)c32)cc1)Nc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF4N5O/c25-21-20-19(7-8-30-21)33-22(14-3-4-14)34(20)12-13-1-5-17(6-2-13)31-23(35)32-18-10-15(24(27,28)29)9-16(26)11-18/h1-2,5-11,14H,3-4,12H2,(H2,31,32,35)
InChIKeyDPACYJWVCVWIGV-UHFFFAOYSA-N
MW503.89 g/mol
LogP6.81
Rot. Bonds5

About 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea

1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 11634784) has the molecular formula C24H18ClF4N5O and a molecular weight of 503.89 g/mol. Its IUPAC name is 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID11634784
Molecular FormulaC24H18ClF4N5O
Molecular Weight503.89 g/mol
Exact Mass503.11
IUPAC Name1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cn2c(C3CC3)nc3ccnc(Cl)c32)cc1)Nc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF4N5O/c25-21-20-19(7-8-30-21)33-22(14-3-4-14)34(20)12-13-1-5-17(6-2-13)31-23(35)32-18-10-15(24(27,28)29)9-16(26)11-18/h1-2,5-11,14H,3-4,12H2,(H2,31,32,35)
InChIKeyDPACYJWVCVWIGV-UHFFFAOYSA-N
XLogP6.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.89
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea (CID 11634784) is 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Cn2c(C3CC3)nc3ccnc(Cl)c32)cc1)Nc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is DPACYJWVCVWIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N5O/c25-21-20-19(7-8-30-21)33-22(14-3-4-14)34(20)12-13-1-5-17(6-2-13)31-23(35)32-18-10-15(24(27,28)29)9-16(26)11-18/h1-2,5-11,14H,3-4,12H2,(H2,31,32,35).
What are the key properties of 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 503.89 g/mol, XLogP of 6.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-2-cyclopropylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11634784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).