6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H23N7O3 — CID 58548163

IUPAC6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C
InChIInChI=1S/C22H23N7O3/c1-29(2)22(31)18-15(5-4-6-17(18)32-3)28-21(30)19-20(26-14-9-23-12-24-10-14)25-11-16(27-19)13-7-8-13/h4-6,9-13H,7-8H2,1-3H3,(H,25,26)(H,28,30)
InChIKeyPHVFORWYAJGQOQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.85
Rot. Bonds7

About 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548163) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548163
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C
InChIInChI=1S/C22H23N7O3/c1-29(2)22(31)18-15(5-4-6-17(18)32-3)28-21(30)19-20(26-14-9-23-12-24-10-14)25-11-16(27-19)13-7-8-13/h4-6,9-13H,7-8H2,1-3H3,(H,25,26)(H,28,30)
InChIKeyPHVFORWYAJGQOQ-UHFFFAOYSA-N
XLogP2.85
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.85
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-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548163) is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is COc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C.
What is the InChIKey of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is PHVFORWYAJGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-29(2)22(31)18-15(5-4-6-17(18)32-3)28-21(30)19-20(26-14-9-23-12-24-10-14)25-11-16(27-19)13-7-8-13/h4-6,9-13H,7-8H2,1-3H3,(H,25,26)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).