1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide

C27H27N5O5 — CID 72944486

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2)c2cc3c(cc12)OCCO3
InChIInChI=1S/C27H27N5O5/c28-26(34)25-17-11-22-23(37-7-6-36-22)12-20(17)31(30-25)13-24(33)32-19-8-15(19)9-21(32)27(35)29-18-10-16(18)14-4-2-1-3-5-14/h1-5,11-12,15-16,18-19,21H,6-10,13H2,(H2,28,34)(H,29,35)/t15-,16+,18-,19-,21+/m1/s1
InChIKeyJBBSYSZIYJEEDL-IVADEEDNSA-N
MW501.54 g/mol
LogP1.57
Rot. Bonds6

About 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide

1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide (PubChem CID 72944486) has the molecular formula C27H27N5O5 and a molecular weight of 501.54 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide
PubChem CID72944486
Molecular FormulaC27H27N5O5
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2)c2cc3c(cc12)OCCO3
InChIInChI=1S/C27H27N5O5/c28-26(34)25-17-11-22-23(37-7-6-36-22)12-20(17)31(30-25)13-24(33)32-19-8-15(19)9-21(32)27(35)29-18-10-16(18)14-4-2-1-3-5-14/h1-5,11-12,15-16,18-19,21H,6-10,13H2,(H2,28,34)(H,29,35)/t15-,16+,18-,19-,21+/m1/s1
InChIKeyJBBSYSZIYJEEDL-IVADEEDNSA-N
XLogP1.57
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide with MolForge

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Related Compounds

16,17-Dimethoxy-21-[2-(propan-2-ylamino)ethyl]-5,7-dioxa-11,12,21-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 25022740
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-6-phenylmethoxyindazole-3-carboxamide
CID 46233634
(1R,3S,5R)-2-[2-[3-acetyl-5-(1-cyanoethoxy)indazol-1-yl]acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 68284547
(1R,3S,5R)-2-{2-[3-Acetyl-5-(2-methoxy-ethoxy)-indazol-1-yl]-acetyl}-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-trifluoromethoxy-phenyl)-amide
CID 68284846
(1R,3S,5R)-2-[2-(3-acetyl-5,6-dimethoxyindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 71009297
1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71009707
(1R,3S,5R)-2-[2-[3-acetyl-5-(oxolan-2-ylmethoxy)indazol-1-yl]acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 118796780
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-5-phenylmethoxyindazole-3-carboxamide
CID 46233593
5,6-Dimethoxy-1-{2-oxo-2-[(1R,3S,5R)-3-((1R,2S)-2-phenyl-cyclopropylcarbamoyl)-2-aza-bicyclo[3.1.0]hex-2-yl]-ethyl}-1H-indazole-3-carboxylic acid amide
CID 72944165
(1R,3S,5R)-2-[2-(3-Acetyl-5,6-dimethoxy-indazol-1-yl)-acetyl]-2-aza-bicyclo[3.1.0] hexane-3-carboxylic acid ((1R,2S)-2-phenyl-cyclopropyl)-amide
CID 72944275
5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134806811
N6-Cyclohexyl-N2-[1-(2,3-dihydro-1,4-benzodioxin-6-YL)ethyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2,6-dicarboxamide
CID 50758473

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide (CID 72944486) is 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2)c2cc3c(cc12)OCCO3.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide?
The InChIKey is JBBSYSZIYJEEDL-IVADEEDNSA-N. The full InChI is InChI=1S/C27H27N5O5/c28-26(34)25-17-11-22-23(37-7-6-36-22)12-20(17)31(30-25)13-24(33)32-19-8-15(19)9-21(32)27(35)29-18-10-16(18)14-4-2-1-3-5-14/h1-5,11-12,15-16,18-19,21H,6-10,13H2,(H2,28,34)(H,29,35)/t15-,16+,18-,19-,21+/m1/s1.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide?
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]indazole-3-carboxamide is sourced from PubChem (CID 72944486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).