3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C21H22N8 — CID 126896066

IUPAC3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C21H22N8/c22-14-19-21(24-6-5-23-19)29-11-9-27(10-12-29)16-3-4-18-17(13-16)20(26-15-25-18)28-7-1-2-8-28/h3-6,13,15H,1-2,7-12H2
InChIKeyYADUOACXTQAZKE-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.22
Rot. Bonds3

About 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126896066) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID126896066
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C21H22N8/c22-14-19-21(24-6-5-23-19)29-11-9-27(10-12-29)16-3-4-18-17(13-16)20(26-15-25-18)28-7-1-2-8-28/h3-6,13,15H,1-2,7-12H2
InChIKeyYADUOACXTQAZKE-UHFFFAOYSA-N
XLogP2.22
TPSA85.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 171335787
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126895692
3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62683141
6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896178

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 126896066) is 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YADUOACXTQAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c22-14-19-21(24-6-5-23-19)29-11-9-27(10-12-29)16-3-4-18-17(13-16)20(26-15-25-18)28-7-1-2-8-28/h3-6,13,15H,1-2,7-12H2.
What are the key properties of 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126896066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).