benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate

C25H26N6O4 — CID 140777745

IUPACbenzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate
SMILESCOC[C@@H](CNC(=O)OCc1ccccc1)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C25H26N6O4/c1-34-15-18(12-28-25(33)35-14-16-7-3-2-4-8-16)29-21-13-27-23(24(26)32)22(31-21)20-11-17-9-5-6-10-19(17)30-20/h2-11,13,18,30H,12,14-15H2,1H3,(H2,26,32)(H,28,33)(H,29,31)/t18-/m1/s1
InChIKeyZENWIOSCRYOJGA-GOSISDBHSA-N
MW474.52 g/mol
LogP3.08
Rot. Bonds10

About benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate

benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate (PubChem CID 140777745) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate
PubChem CID140777745
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Namebenzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate
SMILESCOC[C@@H](CNC(=O)OCc1ccccc1)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C25H26N6O4/c1-34-15-18(12-28-25(33)35-14-16-7-3-2-4-8-16)29-21-13-27-23(24(26)32)22(31-21)20-11-17-9-5-6-10-19(17)30-20/h2-11,13,18,30H,12,14-15H2,1H3,(H2,26,32)(H,28,33)(H,29,31)/t18-/m1/s1
InChIKeyZENWIOSCRYOJGA-GOSISDBHSA-N
XLogP3.08
TPSA144.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate with MolForge

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Related Compounds

(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine
CID 118372912
tert-butyl 2-[3-cyano-6-[[(2R)-1-methoxy-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]pyrazin-2-yl]indole-1-carboxylate
CID 118368179
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
methyl 3-methoxy-2-[3-(phenylmethoxycarbonylamino)propylamino]propanoate
CID 70963493
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
CID 171856101
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
CID 167763104
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate (CID 140777745) is benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate is COC[C@@H](CNC(=O)OCc1ccccc1)Nc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate?
The InChIKey is ZENWIOSCRYOJGA-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-34-15-18(12-28-25(33)35-14-16-7-3-2-4-8-16)29-21-13-27-23(24(26)32)22(31-21)20-11-17-9-5-6-10-19(17)30-20/h2-11,13,18,30H,12,14-15H2,1H3,(H2,26,32)(H,28,33)(H,29,31)/t18-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate?
benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate has a molecular weight of 474.52 g/mol, XLogP of 3.08, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate is sourced from PubChem (CID 140777745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).