5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C18H15N7O — CID 50976679

IUPAC5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESN#Cc1cc2n(n1)CCN(C(=O)c1cnc(Nc3ccccc3)nc1)C2
InChIInChI=1S/C18H15N7O/c19-9-15-8-16-12-24(6-7-25(16)23-15)17(26)13-10-20-18(21-11-13)22-14-4-2-1-3-5-14/h1-5,8,10-11H,6-7,12H2,(H,20,21,22)
InChIKeyBJIOZBTUJQTEAJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.94
Rot. Bonds3

About 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 50976679) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID50976679
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESN#Cc1cc2n(n1)CCN(C(=O)c1cnc(Nc3ccccc3)nc1)C2
InChIInChI=1S/C18H15N7O/c19-9-15-8-16-12-24(6-7-25(16)23-15)17(26)13-10-20-18(21-11-13)22-14-4-2-1-3-5-14/h1-5,8,10-11H,6-7,12H2,(H,20,21,22)
InChIKeyBJIOZBTUJQTEAJ-UHFFFAOYSA-N
XLogP1.94
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
4-[[5-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109261079
5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 157012422
(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 74240836
(2-anilinopyrimidin-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74232162
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
1-[4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254682
phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 155566645
4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254388
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559
5-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 50961108

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 50976679) is 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is N#Cc1cc2n(n1)CCN(C(=O)c1cnc(Nc3ccccc3)nc1)C2.
What is the InChIKey of 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is BJIOZBTUJQTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-9-15-8-16-12-24(6-7-25(16)23-15)17(26)13-10-20-18(21-11-13)22-14-4-2-1-3-5-14/h1-5,8,10-11H,6-7,12H2,(H,20,21,22).
What are the key properties of 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopyrimidine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 50976679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).