6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C20H19N5S — CID 133280126

IUPAC6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC(c5ccn[nH]5)CC4)ncnc3s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-15(5-3-1)18-12-16-19(21-13-22-20(16)26-18)25-10-7-14(8-11-25)17-6-9-23-24-17/h1-6,9,12-14H,7-8,10-11H2,(H,23,24)
InChIKeyXVYYQAOXVHCYGN-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.47
Rot. Bonds3

About 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133280126) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133280126
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCC(c5ccn[nH]5)CC4)ncnc3s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-4-15(5-3-1)18-12-16-19(21-13-22-20(16)26-18)25-10-7-14(8-11-25)17-6-9-23-24-17/h1-6,9,12-14H,7-8,10-11H2,(H,23,24)
InChIKeyXVYYQAOXVHCYGN-UHFFFAOYSA-N
XLogP4.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
(2R,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957175
(2S,6S)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957174
(2S,6R)-2,6-dimethyl-4-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]morpholine
CID 51957173
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
(2-hydroxyphenyl)-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 52676705
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133374883
3-methyl-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052335
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 2816831
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 133280126) is 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCC(c5ccn[nH]5)CC4)ncnc3s2)cc1.
What is the InChIKey of 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is XVYYQAOXVHCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-4-15(5-3-1)18-12-16-19(21-13-22-20(16)26-18)25-10-7-14(8-11-25)17-6-9-23-24-17/h1-6,9,12-14H,7-8,10-11H2,(H,23,24).
What are the key properties of 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 361.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133280126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).