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

C23H24FN7O3 — CID 58548333

IUPAC6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)15-4-3-5-16(24)18(15)31-22(33)19-20(29-14-8-25-12-26-9-14)27-10-17(30-19)13-6-7-13/h3-5,8-10,12-13,34H,6-7,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33)
InChIKeyDEZOUFHIYIOKGT-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.78
Rot. Bonds8

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

6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548333) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548333
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)15-4-3-5-16(24)18(15)31-22(33)19-20(29-14-8-25-12-26-9-14)27-10-17(30-19)13-6-7-13/h3-5,8-10,12-13,34H,6-7,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33)
InChIKeyDEZOUFHIYIOKGT-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-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548333) is 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1cccc(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is DEZOUFHIYIOKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)15-4-3-5-16(24)18(15)31-22(33)19-20(29-14-8-25-12-26-9-14)27-10-17(30-19)13-6-7-13/h3-5,8-10,12-13,34H,6-7,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-fluoro-6-[(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-[2-fluoro-6-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).