1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile

C21H18N8 — CID 108775648

IUPAC1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccn2)c1Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C21H18N8/c22-13-15-14-24-29(18-9-3-4-10-23-18)20(15)27-19-21(28-11-5-6-12-28)26-17-8-2-1-7-16(17)25-19/h1-4,7-10,14H,5-6,11-12H2,(H,25,27)
InChIKeyGKNPDHWONQCULE-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.43
Rot. Bonds4

About 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile

1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile (PubChem CID 108775648) has the molecular formula C21H18N8 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile
PubChem CID108775648
Molecular FormulaC21H18N8
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccn2)c1Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C21H18N8/c22-13-15-14-24-29(18-9-3-4-10-23-18)20(15)27-19-21(28-11-5-6-12-28)26-17-8-2-1-7-16(17)25-19/h1-4,7-10,14H,5-6,11-12H2,(H,25,27)
InChIKeyGKNPDHWONQCULE-UHFFFAOYSA-N
XLogP3.43
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3-chloroquinoxalin-2-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779190
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
CID 108775672
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide
CID 55522312
(3-piperidin-1-ylquinoxalin-2-yl)hydrazine
CID 51345740
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)thiophene-2-sulfonamide
CID 108782377

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile (CID 108775648) is 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccn2)c1Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile?
The InChIKey is GKNPDHWONQCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8/c22-13-15-14-24-29(18-9-3-4-10-23-18)20(15)27-19-21(28-11-5-6-12-28)26-17-8-2-1-7-16(17)25-19/h1-4,7-10,14H,5-6,11-12H2,(H,25,27).
What are the key properties of 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile?
1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile has a molecular weight of 382.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 108775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).