1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea

C21H18ClN5O — CID 135223424

IUPAC1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3ccncc3)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H18ClN5O/c1-27-19-7-4-16(22)12-18(19)20(26-27)15-2-5-17(6-3-15)25-21(28)24-13-14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H2,24,25,28)
InChIKeyXEXRCEBCMDTMQM-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.61
Rot. Bonds4

About 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135223424) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135223424
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCn1nc(-c2ccc(NC(=O)NCc3ccncc3)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H18ClN5O/c1-27-19-7-4-16(22)12-18(19)20(26-27)15-2-5-17(6-3-15)25-21(28)24-13-14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H2,24,25,28)
InChIKeyXEXRCEBCMDTMQM-UHFFFAOYSA-N
XLogP4.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223353
1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
CID 156824810
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
2-chloro-4-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61398635
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 163372167
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135223424) is 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is Cn1nc(-c2ccc(NC(=O)NCc3ccncc3)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is XEXRCEBCMDTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-27-19-7-4-16(22)12-18(19)20(26-27)15-2-5-17(6-3-15)25-21(28)24-13-14-8-10-23-11-9-14/h2-12H,13H2,1H3,(H2,24,25,28).
What are the key properties of 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 391.86 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135223424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).