1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea

C24H21N7O — CID 141356343

IUPAC1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
SMILESC=C(c1ccccn1)c1n[nH]c2cc(NC(=O)Nc3ccc4c(C)n(C)nc4c3)ccc12
InChIInChI=1S/C24H21N7O/c1-14(20-6-4-5-11-25-20)23-19-10-8-16(12-21(19)28-29-23)26-24(32)27-17-7-9-18-15(2)31(3)30-22(18)13-17/h4-13H,1H2,2-3H3,(H,28,29)(H2,26,27,32)
InChIKeyLOIKZJLSSSBNAY-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea

1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea (PubChem CID 141356343) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
PubChem CID141356343
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea
SMILESC=C(c1ccccn1)c1n[nH]c2cc(NC(=O)Nc3ccc4c(C)n(C)nc4c3)ccc12
InChIInChI=1S/C24H21N7O/c1-14(20-6-4-5-11-25-20)23-19-10-8-16(12-21(19)28-29-23)26-24(32)27-17-7-9-18-15(2)31(3)30-22(18)13-17/h4-13H,1H2,2-3H3,(H,28,29)(H2,26,27,32)
InChIKeyLOIKZJLSSSBNAY-UHFFFAOYSA-N
XLogP4.86
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
CID 74763932
1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
CID 74763951
1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 74763930
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1H-indazole-3-carboxamide
CID 29182775
N-(9H-carbazol-2-yl)pyridine-2-carboxamide
CID 66605805
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 74763948
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide
CID 91407920
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 54765950
N-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 69372072
1,5-dimethyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 22978009

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea?
The IUPAC name of 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea (CID 141356343) is 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea?
The canonical SMILES for 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea is C=C(c1ccccn1)c1n[nH]c2cc(NC(=O)Nc3ccc4c(C)n(C)nc4c3)ccc12.
What is the InChIKey of 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea?
The InChIKey is LOIKZJLSSSBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-14(20-6-4-5-11-25-20)23-19-10-8-16(12-21(19)28-29-23)26-24(32)27-17-7-9-18-15(2)31(3)30-22(18)13-17/h4-13H,1H2,2-3H3,(H,28,29)(H2,26,27,32).
What are the key properties of 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea?
1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea has a molecular weight of 423.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindazol-6-yl)-3-[3-(1-pyridin-2-ylethenyl)-1H-indazol-6-yl]urea is sourced from PubChem (CID 141356343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).