1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C19H17N7O2 — CID 71087474

IUPAC1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESN#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1
InChIInChI=1S/C19H17N7O2/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27)/t17-/m1/s1
InChIKeyFNOCGVSDQPCCKB-QGZVFWFLSA-N
MW375.39 g/mol
LogP1.45
Rot. Bonds4

About 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 71087474) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID71087474
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESN#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1
InChIInChI=1S/C19H17N7O2/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27)/t17-/m1/s1
InChIKeyFNOCGVSDQPCCKB-QGZVFWFLSA-N
XLogP1.45
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 71087474) is 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is N#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is FNOCGVSDQPCCKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71087474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).