[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate

C22H26ClN3O5 — CID 68801079

IUPAC[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
SMILESC[C@](O)(CNC(=O)Oc1cnc(OC[C@H]2CCCO2)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C22H26ClN3O5/c1-22(28,15-6-7-15)13-25-21(27)31-18-11-24-20(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27)/t17-,22+/m1/s1
InChIKeyKWTNMIRWICBCHU-VGSWGCGISA-N
MW447.92 g/mol
LogP3.60
Rot. Bonds8

About [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate

[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate (PubChem CID 68801079) has the molecular formula C22H26ClN3O5 and a molecular weight of 447.92 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
PubChem CID68801079
Molecular FormulaC22H26ClN3O5
Molecular Weight447.92 g/mol
Exact Mass447.16
IUPAC Name[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
SMILESC[C@](O)(CNC(=O)Oc1cnc(OC[C@H]2CCCO2)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C22H26ClN3O5/c1-22(28,15-6-7-15)13-25-21(27)31-18-11-24-20(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27)/t17-,22+/m1/s1
InChIKeyKWTNMIRWICBCHU-VGSWGCGISA-N
XLogP3.60
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
CID 91368368
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109629
5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
CID 67011762
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
CID 121347296
5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
CID 86634704
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
(2S)-N-(5-chloro-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 41071474
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 11951477
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The IUPAC name of [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate (CID 68801079) is [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate.
What is the SMILES notation for [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The canonical SMILES for [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate is C[C@](O)(CNC(=O)Oc1cnc(OC[C@H]2CCCO2)c(-c2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
The InChIKey is KWTNMIRWICBCHU-VGSWGCGISA-N. The full InChI is InChI=1S/C22H26ClN3O5/c1-22(28,15-6-7-15)13-25-21(27)31-18-11-24-20(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27)/t17-,22+/m1/s1.
What are the key properties of [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate?
[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate has a molecular weight of 447.92 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate is sourced from PubChem (CID 68801079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).