6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H23N7O2 — CID 165414922

IUPAC6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H23N7O2/c1-15-19(31-24(33-15)17-5-3-2-4-6-17)9-10-27-23(32)21-22(29-18-11-25-14-26-12-18)28-13-20(30-21)16-7-8-16/h2-6,11-14,16H,7-10H2,1H3,(H,27,32)(H,28,29)
InChIKeyWLSTWWXWSTZTQQ-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.82
Rot. Bonds8

About 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165414922) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165414922
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H23N7O2/c1-15-19(31-24(33-15)17-5-3-2-4-6-17)9-10-27-23(32)21-22(29-18-11-25-14-26-12-18)28-13-20(30-21)16-7-8-16/h2-6,11-14,16H,7-10H2,1H3,(H,27,32)(H,28,29)
InChIKeyWLSTWWXWSTZTQQ-UHFFFAOYSA-N
XLogP3.82
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165414922) is 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WLSTWWXWSTZTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15-19(31-24(33-15)17-5-3-2-4-6-17)9-10-27-23(32)21-22(29-18-11-25-14-26-12-18)28-13-20(30-21)16-7-8-16/h2-6,11-14,16H,7-10H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165414922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).