6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H24F3N7O3 — CID 58548387

IUPAC6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24F3N7O3/c1-23(2,37)11-31-21(35)16-7-14(24(25,26)27)5-6-17(16)34-22(36)19-20(32-15-8-28-12-29-9-15)30-10-18(33-19)13-3-4-13/h5-10,12-13,37H,3-4,11H2,1-2H3,(H,30,32)(H,31,35)(H,34,36)
InChIKeyBPLHFHBQYHJDRR-UHFFFAOYSA-N
MW515.50 g/mol
LogP3.66
Rot. Bonds8

About 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548387) has the molecular formula C24H24F3N7O3 and a molecular weight of 515.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548387
Molecular FormulaC24H24F3N7O3
Molecular Weight515.50 g/mol
Exact Mass515.19
IUPAC Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24F3N7O3/c1-23(2,37)11-31-21(35)16-7-14(24(25,26)27)5-6-17(16)34-22(36)19-20(32-15-8-28-12-29-9-15)30-10-18(33-19)13-3-4-13/h5-10,12-13,37H,3-4,11H2,1-2H3,(H,30,32)(H,31,35)(H,34,36)
InChIKeyBPLHFHBQYHJDRR-UHFFFAOYSA-N
XLogP3.66
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548387) is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BPLHFHBQYHJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3/c1-23(2,37)11-31-21(35)16-7-14(24(25,26)27)5-6-17(16)34-22(36)19-20(32-15-8-28-12-29-9-15)30-10-18(33-19)13-3-4-13/h5-10,12-13,37H,3-4,11H2,1-2H3,(H,30,32)(H,31,35)(H,34,36).
What are the key properties of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 515.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).