6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C18H15F2N7O2 — CID 165415257

IUPAC6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cncc(OC(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C18H15F2N7O2/c19-18(20)29-13-3-11(4-21-7-13)26-17(28)15-16(25-12-5-22-9-23-6-12)24-8-14(27-15)10-1-2-10/h3-10,18H,1-2H2,(H,24,25)(H,26,28)
InChIKeyRNIKIEUNMXQMGC-UHFFFAOYSA-N
MW399.36 g/mol
LogP3.14
Rot. Bonds7

About 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415257) has the molecular formula C18H15F2N7O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415257
Molecular FormulaC18H15F2N7O2
Molecular Weight399.36 g/mol
Exact Mass399.13
IUPAC Name6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cncc(OC(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C18H15F2N7O2/c19-18(20)29-13-3-11(4-21-7-13)26-17(28)15-16(25-12-5-22-9-23-6-12)24-8-14(27-15)10-1-2-10/h3-10,18H,1-2H2,(H,24,25)(H,26,28)
InChIKeyRNIKIEUNMXQMGC-UHFFFAOYSA-N
XLogP3.14
TPSA114.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415257) is 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(Nc1cncc(OC(F)F)c1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is RNIKIEUNMXQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7O2/c19-18(20)29-13-3-11(4-21-7-13)26-17(28)15-16(25-12-5-22-9-23-6-12)24-8-14(27-15)10-1-2-10/h3-10,18H,1-2H2,(H,24,25)(H,26,28).
What are the key properties of 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 399.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).