6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H24N8O3 — CID 58548359

IUPAC6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O3/c1-24-22(32)19-16(7-6-15(29-19)18-3-2-8-34-18)31-23(33)20-21(28-14-9-25-12-26-10-14)27-11-17(30-20)13-4-5-13/h6-7,9-13,18H,2-5,8H2,1H3,(H,24,32)(H,27,28)(H,31,33)
InChIKeyLTPSEOSXQXIPGK-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.75
Rot. Bonds7

About 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548359) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548359
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24N8O3/c1-24-22(32)19-16(7-6-15(29-19)18-3-2-8-34-18)31-23(33)20-21(28-14-9-25-12-26-10-14)27-11-17(30-20)13-4-5-13/h6-7,9-13,18H,2-5,8H2,1H3,(H,24,32)(H,27,28)(H,31,33)
InChIKeyLTPSEOSXQXIPGK-UHFFFAOYSA-N
XLogP2.75
TPSA143.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548359) is 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1nc(C2CCCO2)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LTPSEOSXQXIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-24-22(32)19-16(7-6-15(29-19)18-3-2-8-34-18)31-23(33)20-21(28-14-9-25-12-26-10-14)27-11-17(30-20)13-4-5-13/h6-7,9-13,18H,2-5,8H2,1H3,(H,24,32)(H,27,28)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylcarbamoyl)-6-(oxolan-2-yl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).