2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C20H25N7 — CID 155800243

IUPAC2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(N(C)C)nc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)n1
InChIInChI=1S/C20H25N7/c1-14-11-18(25(2)3)24-20(22-14)27-9-7-26(8-10-27)19-16(13-21)12-15-5-4-6-17(15)23-19/h11-12H,4-10H2,1-3H3
InChIKeyPZEBZWVSCQURNH-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.93
Rot. Bonds3

About 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 155800243) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID155800243
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(N(C)C)nc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)n1
InChIInChI=1S/C20H25N7/c1-14-11-18(25(2)3)24-20(22-14)27-9-7-26(8-10-27)19-16(13-21)12-15-5-4-6-17(15)23-19/h11-12H,4-10H2,1-3H3
InChIKeyPZEBZWVSCQURNH-UHFFFAOYSA-N
XLogP1.93
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079860
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 112806857
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079862
2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944458
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 163346315
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79927493
2-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 155800243) is 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1cc(N(C)C)nc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)n1.
What is the InChIKey of 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is PZEBZWVSCQURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-11-18(25(2)3)24-20(22-14)27-9-7-26(8-10-27)19-16(13-21)12-15-5-4-6-17(15)23-19/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 363.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 155800243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).