[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C20H23ClN8O — CID 10320294

IUPAC[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCn1cnc2ncnc(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)c21
InChIInChI=1S/C20H23ClN8O/c1-26-13-25-17-16(26)19(24-12-23-17)28-8-6-27(7-9-28)18-15(21)10-14(11-22-18)20(30)29-4-2-3-5-29/h10-13H,2-9H2,1H3
InChIKeyDPILYUVHAJIPNT-UHFFFAOYSA-N
MW426.91 g/mol
LogP1.97
Rot. Bonds3

About [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 10320294) has the molecular formula C20H23ClN8O and a molecular weight of 426.91 g/mol. Its IUPAC name is [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID10320294
Molecular FormulaC20H23ClN8O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC Name[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCn1cnc2ncnc(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)c21
InChIInChI=1S/C20H23ClN8O/c1-26-13-25-17-16(26)19(24-12-23-17)28-8-6-27(7-9-28)18-15(21)10-14(11-22-18)20(30)29-4-2-3-5-29/h10-13H,2-9H2,1H3
InChIKeyDPILYUVHAJIPNT-UHFFFAOYSA-N
XLogP1.97
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10094916
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133450569
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133322869
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 10320294) is [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cn1cnc2ncnc(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)c21.
What is the InChIKey of [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DPILYUVHAJIPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8O/c1-26-13-25-17-16(26)19(24-12-23-17)28-8-6-27(7-9-28)18-15(21)10-14(11-22-18)20(30)29-4-2-3-5-29/h10-13H,2-9H2,1H3.
What are the key properties of [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.91 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10320294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).