N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H19F2N7O2 — CID 121272098

IUPACN-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C20H19F2N7O2/c21-20(22)3-4-29(11-20)18(30)10-26-14-5-13(7-24-15(14)6-23)16-8-27-17(9-25-16)28-19(31)12-1-2-12/h5,7-9,12,26H,1-4,10-11H2,(H,27,28,31)
InChIKeyVFUONHGNWXJEIK-UHFFFAOYSA-N
MW427.42 g/mol
LogP2.04
Rot. Bonds6

About N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272098) has the molecular formula C20H19F2N7O2 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272098
Molecular FormulaC20H19F2N7O2
Molecular Weight427.42 g/mol
Exact Mass427.16
IUPAC NameN-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C20H19F2N7O2/c21-20(22)3-4-29(11-20)18(30)10-26-14-5-13(7-24-15(14)6-23)16-8-27-17(9-25-16)28-19(31)12-1-2-12/h5,7-9,12,26H,1-4,10-11H2,(H,27,28,31)
InChIKeyVFUONHGNWXJEIK-UHFFFAOYSA-N
XLogP2.04
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272098) is N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC(F)(F)C1.
What is the InChIKey of N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is VFUONHGNWXJEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O2/c21-20(22)3-4-29(11-20)18(30)10-26-14-5-13(7-24-15(14)6-23)16-8-27-17(9-25-16)28-19(31)12-1-2-12/h5,7-9,12,26H,1-4,10-11H2,(H,27,28,31).
What are the key properties of N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 427.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).