1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea

C18H22N4O2 — CID 136584840

IUPAC1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
SMILESO=C(NC1CCc2cn[nH]c2C1)N[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(20-14-7-6-13-11-19-22-16(13)10-14)21-15-8-9-24-17(15)12-4-2-1-3-5-12/h1-5,11,14-15,17H,6-10H2,(H,19,22)(H2,20,21,23)/t14?,15-,17+/m1/s1
InChIKeyYWTOOSZBGGDROW-LBVBGPOBSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds3

About 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea

1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea (PubChem CID 136584840) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
PubChem CID136584840
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
SMILESO=C(NC1CCc2cn[nH]c2C1)N[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(20-14-7-6-13-11-19-22-16(13)10-14)21-15-8-9-24-17(15)12-4-2-1-3-5-12/h1-5,11,14-15,17H,6-10H2,(H,19,22)(H2,20,21,23)/t14?,15-,17+/m1/s1
InChIKeyYWTOOSZBGGDROW-LBVBGPOBSA-N
XLogP2.10
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide
CID 128727683
1-[(2R,3S)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[1-(4-fluorophenyl)butan-2-yl]urea
CID 164640304
[(5aR,8aS)-4,5,5a,6,8,8a-hexahydro-1H-pyrrolo[3,4-g]indazol-7-yl]-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
CID 162738908
4,5,5a,6,8,8a-hexahydro-1H-pyrrolo[3,4-g]indazol-7-yl-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
CID 168830564
2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 51084973
(2R)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 94171604
(2S)-2-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 94171605
(2R)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99773803
(2S)-2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99773804
2-(3,4-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 102554383
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 112319737
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 112319750

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The IUPAC name of 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea (CID 136584840) is 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The canonical SMILES for 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea is O=C(NC1CCc2cn[nH]c2C1)N[C@@H]1CCO[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
The InChIKey is YWTOOSZBGGDROW-LBVBGPOBSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-14-7-6-13-11-19-22-16(13)10-14)21-15-8-9-24-17(15)12-4-2-1-3-5-12/h1-5,11,14-15,17H,6-10H2,(H,19,22)(H2,20,21,23)/t14?,15-,17+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea?
1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea is sourced from PubChem (CID 136584840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).