[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H23ClN6OS — CID 10094916

IUPAC[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc2c(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)ncnc12
InChIInChI=1S/C21H23ClN6OS/c1-14-12-30-18-17(14)24-13-25-20(18)27-8-6-26(7-9-27)19-16(22)10-15(11-23-19)21(29)28-4-2-3-5-28/h10-13H,2-9H2,1H3
InChIKeyCZHHWTKTTZRGIX-UHFFFAOYSA-N
MW442.98 g/mol
LogP3.61
Rot. Bonds3

About [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 10094916) has the molecular formula C21H23ClN6OS and a molecular weight of 442.98 g/mol. Its IUPAC name is [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID10094916
Molecular FormulaC21H23ClN6OS
Molecular Weight442.98 g/mol
Exact Mass442.13
IUPAC Name[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc2c(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)ncnc12
InChIInChI=1S/C21H23ClN6OS/c1-14-12-30-18-17(14)24-13-25-20(18)27-8-6-26(7-9-27)19-16(22)10-15(11-23-19)21(29)28-4-2-3-5-28/h10-13H,2-9H2,1H3
InChIKeyCZHHWTKTTZRGIX-UHFFFAOYSA-N
XLogP3.61
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320294
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808491
tert-butyl 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171998106
[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
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294918

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 10094916) is [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1csc2c(N3CCN(c4ncc(C(=O)N5CCCC5)cc4Cl)CC3)ncnc12.
What is the InChIKey of [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CZHHWTKTTZRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6OS/c1-14-12-30-18-17(14)24-13-25-20(18)27-8-6-26(7-9-27)19-16(22)10-15(11-23-19)21(29)28-4-2-3-5-28/h10-13H,2-9H2,1H3.
What are the key properties of [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 442.98 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10094916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).