N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide

C21H22FN9OS — CID 42099835

IUPACN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C21H22FN9OS/c1-14-18(33-28-27-14)21(32)23-6-7-31-20-17(12-26-31)19(24-13-25-20)30-10-8-29(9-11-30)16-4-2-15(22)3-5-16/h2-5,12-13H,6-11H2,1H3,(H,23,32)
InChIKeyOLKAIXJTLISCKR-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.88
Rot. Bonds6

About N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 42099835) has the molecular formula C21H22FN9OS and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID42099835
Molecular FormulaC21H22FN9OS
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C21H22FN9OS/c1-14-18(33-28-27-14)21(32)23-6-7-31-20-17(12-26-31)19(24-13-25-20)30-10-8-29(9-11-30)16-4-2-15(22)3-5-16/h2-5,12-13H,6-11H2,1H3,(H,23,32)
InChIKeyOLKAIXJTLISCKR-UHFFFAOYSA-N
XLogP1.88
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
CID 42099687
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 42099780
2-phenoxy-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42099773
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338
N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide
CID 42099705
N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-4-fluorobenzamide
CID 16902879
N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196444
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430797
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196333

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide (CID 42099835) is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21.
What is the InChIKey of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is OLKAIXJTLISCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9OS/c1-14-18(33-28-27-14)21(32)23-6-7-31-20-17(12-26-31)19(24-13-25-20)30-10-8-29(9-11-30)16-4-2-15(22)3-5-16/h2-5,12-13H,6-11H2,1H3,(H,23,32).
What are the key properties of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 42099835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).