6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H19F3N8O2 — CID 58548209

IUPAC6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19F3N8O2/c1-32(10-21(22,23)24)20(34)16-14(3-2-6-27-16)31-19(33)17-18(29-13-7-25-11-26-8-13)28-9-15(30-17)12-4-5-12/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,28,29)(H,31,33)
InChIKeyLWQOCQLMEJCHQS-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.17
Rot. Bonds7

About 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548209) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548209
Molecular FormulaC21H19F3N8O2
Molecular Weight472.43 g/mol
Exact Mass472.16
IUPAC Name6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H19F3N8O2/c1-32(10-21(22,23)24)20(34)16-14(3-2-6-27-16)31-19(33)17-18(29-13-7-25-11-26-8-13)28-9-15(30-17)12-4-5-12/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,28,29)(H,31,33)
InChIKeyLWQOCQLMEJCHQS-UHFFFAOYSA-N
XLogP3.17
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548209) is 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(CC(F)(F)F)C(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LWQOCQLMEJCHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c1-32(10-21(22,23)24)20(34)16-14(3-2-6-27-16)31-19(33)17-18(29-13-7-25-11-26-8-13)28-9-15(30-17)12-4-5-12/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,28,29)(H,31,33).
What are the key properties of 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).