6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile

C18H18N8 — CID 155980578

IUPAC6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1
InChIInChI=1S/C18H18N8/c19-9-13-1-4-15(20-10-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-2-3-14/h1,4,10-12,14H,2-3,5-8H2
InChIKeyXLJRMVOWZBYHMN-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.75
Rot. Bonds3

About 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 155980578) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID155980578
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1
InChIInChI=1S/C18H18N8/c19-9-13-1-4-15(20-10-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-2-3-14/h1,4,10-12,14H,2-3,5-8H2
InChIKeyXLJRMVOWZBYHMN-UHFFFAOYSA-N
XLogP1.75
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155980616
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
6-[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 155980586
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
CID 172882518
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 167767188
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 155980578) is 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)nc1.
What is the InChIKey of 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XLJRMVOWZBYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c19-9-13-1-4-15(20-10-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-2-3-14/h1,4,10-12,14H,2-3,5-8H2.
What are the key properties of 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 346.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155980578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).