4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine

C20H19N5S — CID 45253118

IUPAC4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine
SMILESc1cc(-c2ccn(CC3CCNC3)n2)cc(-c2ncnc3sccc23)c1
InChIInChI=1S/C20H19N5S/c1-2-15(18-5-8-25(24-18)12-14-4-7-21-11-14)10-16(3-1)19-17-6-9-26-20(17)23-13-22-19/h1-3,5-6,8-10,13-14,21H,4,7,11-12H2
InChIKeyFFOLNULGTIPMSS-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.83
Rot. Bonds4

About 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine

4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine (PubChem CID 45253118) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine
PubChem CID45253118
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine
SMILESc1cc(-c2ccn(CC3CCNC3)n2)cc(-c2ncnc3sccc23)c1
InChIInChI=1S/C20H19N5S/c1-2-15(18-5-8-25(24-18)12-14-4-7-21-11-14)10-16(3-1)19-17-6-9-26-20(17)23-13-22-19/h1-3,5-6,8-10,13-14,21H,4,7,11-12H2
InChIKeyFFOLNULGTIPMSS-UHFFFAOYSA-N
XLogP3.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 91885439
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
CID 44316765
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-fluorophenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10142592
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-7-(isopropylsulfanyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10208724
N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
CID 10300742
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine (CID 45253118) is 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine is c1cc(-c2ccn(CC3CCNC3)n2)cc(-c2ncnc3sccc23)c1.
What is the InChIKey of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine?
The InChIKey is FFOLNULGTIPMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-15(18-5-8-25(24-18)12-14-4-7-21-11-14)10-16(3-1)19-17-6-9-26-20(17)23-13-22-19/h1-3,5-6,8-10,13-14,21H,4,7,11-12H2.
What are the key properties of 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine?
4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine has a molecular weight of 361.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 45253118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).