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

C24H24N8O3 — CID 58548395

IUPACN-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24N8O3/c1-24(2,35)12-29-22(33)17-7-14(8-25)3-6-18(17)32-23(34)20-21(30-16-9-26-13-27-10-16)28-11-19(31-20)15-4-5-15/h3,6-7,9-11,13,15,35H,4-5,12H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
InChIKeyXAKARZJVBZVNRM-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.51
Rot. Bonds8

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

N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548395) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548395
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC NameN-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24N8O3/c1-24(2,35)12-29-22(33)17-7-14(8-25)3-6-18(17)32-23(34)20-21(30-16-9-26-13-27-10-16)28-11-19(31-20)15-4-5-15/h3,6-7,9-11,13,15,35H,4-5,12H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
InChIKeyXAKARZJVBZVNRM-UHFFFAOYSA-N
XLogP2.51
TPSA165.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548395) is N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1cc(C#N)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is XAKARZJVBZVNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-24(2,35)12-29-22(33)17-7-14(8-25)3-6-18(17)32-23(34)20-21(30-16-9-26-13-27-10-16)28-11-19(31-20)15-4-5-15/h3,6-7,9-11,13,15,35H,4-5,12H2,1-2H3,(H,28,30)(H,29,33)(H,32,34).
What are the key properties of N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).