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

C23H23F2N7O3 — CID 58548180

IUPAC6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C23H23F2N7O3/c1-23(2,35)10-29-21(33)17-15(6-5-14(24)18(17)25)32-22(34)19-20(30-13-7-26-11-27-8-13)28-9-16(31-19)12-3-4-12/h5-9,11-12,35H,3-4,10H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
InChIKeyVZPIOXXKSRFQNI-UHFFFAOYSA-N
MW483.48 g/mol
LogP2.92
Rot. Bonds8

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

6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548180) has the molecular formula C23H23F2N7O3 and a molecular weight of 483.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548180
Molecular FormulaC23H23F2N7O3
Molecular Weight483.48 g/mol
Exact Mass483.18
IUPAC Name6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C23H23F2N7O3/c1-23(2,35)10-29-21(33)17-15(6-5-14(24)18(17)25)32-22(34)19-20(30-13-7-26-11-27-8-13)28-9-16(31-19)12-3-4-12/h5-9,11-12,35H,3-4,10H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
InChIKeyVZPIOXXKSRFQNI-UHFFFAOYSA-N
XLogP2.92
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548180) is 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F.
What is the InChIKey of 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is VZPIOXXKSRFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O3/c1-23(2,35)10-29-21(33)17-15(6-5-14(24)18(17)25)32-22(34)19-20(30-13-7-26-11-27-8-13)28-9-16(31-19)12-3-4-12/h5-9,11-12,35H,3-4,10H2,1-2H3,(H,28,30)(H,29,33)(H,32,34).
What are the key properties of 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3,4-difluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).