1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide

C16H15F2N7O2 — CID 118357099

IUPAC1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1
InChIInChI=1S/C16H15F2N7O2/c17-11(18)5-20-16(27)10-3-4-25(23-10)14-8-24-7-12(21-13(24)6-19-14)22-15(26)9-1-2-9/h3-4,6-9,11H,1-2,5H2,(H,20,27)(H,22,26)
InChIKeyGZHPPJQGOASYEX-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.26
Rot. Bonds6

About 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide

1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide (PubChem CID 118357099) has the molecular formula C16H15F2N7O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide
PubChem CID118357099
Molecular FormulaC16H15F2N7O2
Molecular Weight375.34 g/mol
Exact Mass375.13
IUPAC Name1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1
InChIInChI=1S/C16H15F2N7O2/c17-11(18)5-20-16(27)10-3-4-25(23-10)14-8-24-7-12(21-13(24)6-19-14)22-15(26)9-1-2-9/h3-4,6-9,11H,1-2,5H2,(H,20,27)(H,22,26)
InChIKeyGZHPPJQGOASYEX-UHFFFAOYSA-N
XLogP1.26
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide (CID 118357099) is 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide is O=C(NCC(F)F)c1ccn(-c2cn3cc(NC(=O)C4CC4)nc3cn2)n1.
What is the InChIKey of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide?
The InChIKey is GZHPPJQGOASYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7O2/c17-11(18)5-20-16(27)10-3-4-25(23-10)14-8-24-7-12(21-13(24)6-19-14)22-15(26)9-1-2-9/h3-4,6-9,11H,1-2,5H2,(H,20,27)(H,22,26).
What are the key properties of 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide?
1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118357099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).