5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile

C18H18N8 — CID 155980616

IUPAC5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cn1
InChIInChI=1S/C18H18N8/c19-9-13-1-2-15(10-20-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-3-4-14/h1-2,10-12,14H,3-8H2
InChIKeyVNHBFIZUMLKORQ-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.75
Rot. Bonds3

About 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 155980616) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID155980616
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cn1
InChIInChI=1S/C18H18N8/c19-9-13-1-2-15(10-20-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-3-4-14/h1-2,10-12,14H,3-8H2
InChIKeyVNHBFIZUMLKORQ-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

6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
CID 172882518
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 127616544
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
5-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 107110581
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 155980616) is 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cn1.
What is the InChIKey of 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VNHBFIZUMLKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c19-9-13-1-2-15(10-20-13)24-5-7-25(8-6-24)17-16-18(22-11-21-17)26(12-23-16)14-3-4-14/h1-2,10-12,14H,3-8H2.
What are the key properties of 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-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 5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155980616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).