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

C22H21N5O2 — CID 135223353

IUPAC1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1ccc2c(c1)c(-c1ccc(NC(=O)NCc3ccncc3)cc1)nn2C
InChIInChI=1S/C22H21N5O2/c1-27-20-8-7-18(29-2)13-19(20)21(26-27)16-3-5-17(6-4-16)25-22(28)24-14-15-9-11-23-12-10-15/h3-13H,14H2,1-2H3,(H2,24,25,28)
InChIKeyVOPSNUZGZRCXJU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.97
Rot. Bonds5

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

1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135223353) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135223353
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1ccc2c(c1)c(-c1ccc(NC(=O)NCc3ccncc3)cc1)nn2C
InChIInChI=1S/C22H21N5O2/c1-27-20-8-7-18(29-2)13-19(20)21(26-27)16-3-5-17(6-4-16)25-22(28)24-14-15-9-11-23-12-10-15/h3-13H,14H2,1-2H3,(H2,24,25,28)
InChIKeyVOPSNUZGZRCXJU-UHFFFAOYSA-N
XLogP3.97
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-chloro-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223424
1-[4-[(4-methoxyphenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 142402036
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223135
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 21454522
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135223353) is 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is COc1ccc2c(c1)c(-c1ccc(NC(=O)NCc3ccncc3)cc1)nn2C.
What is the InChIKey of 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is VOPSNUZGZRCXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-27-20-8-7-18(29-2)13-19(20)21(26-27)16-3-5-17(6-4-16)25-22(28)24-14-15-9-11-23-12-10-15/h3-13H,14H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 387.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135223353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).