1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea

C23H27N5O — CID 16749566

IUPAC1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea
SMILESCc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C23H27N5O/c1-15-12-16(8-11-22(15)28-17-4-2-5-18(28)10-9-17)13-24-23(29)26-20-6-3-7-21-19(20)14-25-27-21/h3,6-8,11-12,14,17-18H,2,4-5,9-10,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+
InChIKeyAIOOQLYLPSULMB-HDICACEKSA-N
MW389.50 g/mol
LogP4.71
Rot. Bonds4

About 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea

1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea (PubChem CID 16749566) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea
PubChem CID16749566
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea
SMILESCc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C23H27N5O/c1-15-12-16(8-11-22(15)28-17-4-2-5-18(28)10-9-17)13-24-23(29)26-20-6-3-7-21-19(20)14-25-27-21/h3,6-8,11-12,14,17-18H,2,4-5,9-10,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+
InChIKeyAIOOQLYLPSULMB-HDICACEKSA-N
XLogP4.71
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea with MolForge

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Related Compounds

Abt 102
CID 11256560
Ko-947
CID 136653617
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea (CID 16749566) is 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea is Cc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@@H]2CCC[C@H]1CC2.
What is the InChIKey of 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is AIOOQLYLPSULMB-HDICACEKSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15-12-16(8-11-22(15)28-17-4-2-5-18(28)10-9-17)13-24-23(29)26-20-6-3-7-21-19(20)14-25-27-21/h3,6-8,11-12,14,17-18H,2,4-5,9-10,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+.
What are the key properties of 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea?
1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 389.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-methylphenyl]methyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 16749566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).