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

C23H24FN7O3 — CID 58548190

IUPAC6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)16-6-5-14(24)7-17(16)31-22(33)19-20(29-15-8-25-12-26-9-15)27-10-18(30-19)13-3-4-13/h5-10,12-13,34H,3-4,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33)
InChIKeyBZVVPJPILSWENG-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.78
Rot. Bonds8

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

6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548190) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548190
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)16-6-5-14(24)7-17(16)31-22(33)19-20(29-15-8-25-12-26-9-15)27-10-18(30-19)13-3-4-13/h5-10,12-13,34H,3-4,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33)
InChIKeyBZVVPJPILSWENG-UHFFFAOYSA-N
XLogP2.78
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548190) is 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1ccc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BZVVPJPILSWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)16-6-5-14(24)7-17(16)31-22(33)19-20(29-15-8-25-12-26-9-15)27-10-18(30-19)13-3-4-13/h5-10,12-13,34H,3-4,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).