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

C21H22FN7O2 — CID 121272009

IUPACN-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1CF
InChIInChI=1S/C21H22FN7O2/c22-7-15-2-1-5-29(15)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-3-4-13/h6,9-11,13,15,26H,1-5,7,12H2,(H,27,28,31)
InChIKeyHJDVBGSRHPWTAM-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.13
Rot. Bonds7

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

N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272009) has the molecular formula C21H22FN7O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272009
Molecular FormulaC21H22FN7O2
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC NameN-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1CF
InChIInChI=1S/C21H22FN7O2/c22-7-15-2-1-5-29(15)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-3-4-13/h6,9-11,13,15,26H,1-5,7,12H2,(H,27,28,31)
InChIKeyHJDVBGSRHPWTAM-UHFFFAOYSA-N
XLogP2.13
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.13
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-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272009) is N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1CF.
What is the InChIKey of N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is HJDVBGSRHPWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O2/c22-7-15-2-1-5-29(15)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-3-4-13/h6,9-11,13,15,26H,1-5,7,12H2,(H,27,28,31).
What are the key properties of N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.13, 7 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-[2-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).