7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine

C18H22N6S — CID 171690814

IUPAC7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(Cc4n[nH]c5c4CCC5)CC3)ncnc12
InChIInChI=1S/C18H22N6S/c1-12-10-25-17-16(12)19-11-20-18(17)24-7-5-23(6-8-24)9-15-13-3-2-4-14(13)21-22-15/h10-11H,2-9H2,1H3,(H,21,22)
InChIKeyDRZZMMLUWPHOHK-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.53
Rot. Bonds3

About 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine

7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 171690814) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID171690814
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(Cc4n[nH]c5c4CCC5)CC3)ncnc12
InChIInChI=1S/C18H22N6S/c1-12-10-25-17-16(12)19-11-20-18(17)24-7-5-23(6-8-24)9-15-13-3-2-4-14(13)21-22-15/h10-11H,2-9H2,1H3,(H,21,22)
InChIKeyDRZZMMLUWPHOHK-UHFFFAOYSA-N
XLogP2.53
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
6-fluoro-3-[[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998463
3-[[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 172881791
7-methyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171701165
3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 171333947
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-[[7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
CID 56713983
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
CID 102686848
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 171691654

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 171690814) is 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1csc2c(N3CCN(Cc4n[nH]c5c4CCC5)CC3)ncnc12.
What is the InChIKey of 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is DRZZMMLUWPHOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-12-10-25-17-16(12)19-11-20-18(17)24-7-5-23(6-8-24)9-15-13-3-2-4-14(13)21-22-15/h10-11H,2-9H2,1H3,(H,21,22).
What are the key properties of 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 354.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 171690814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).