[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C26H29FN6OS — CID 46656222

IUPAC[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H29FN6OS/c1-16(2)24-28-17(3)13-23(29-24)31-9-11-32(12-10-31)25(34)22-14-21-18(4)30-33(26(21)35-22)15-19-5-7-20(27)8-6-19/h5-8,13-14,16H,9-12,15H2,1-4H3
InChIKeyLYWUERNSQRBNND-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.78
Rot. Bonds5

About [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 46656222) has the molecular formula C26H29FN6OS and a molecular weight of 492.62 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID46656222
Molecular FormulaC26H29FN6OS
Molecular Weight492.62 g/mol
Exact Mass492.21
IUPAC Name[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)nc(C(C)C)n1
InChIInChI=1S/C26H29FN6OS/c1-16(2)24-28-17(3)13-23(29-24)31-9-11-32(12-10-31)25(34)22-14-21-18(4)30-33(26(21)35-22)15-19-5-7-20(27)8-6-19/h5-8,13-14,16H,9-12,15H2,1-4H3
InChIKeyLYWUERNSQRBNND-UHFFFAOYSA-N
XLogP4.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17458444
[4-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 46578860
2-[4-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451935
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
(2-ethylmorpholin-4-yl)-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 42892420
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43040229
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78838309
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 120830677
1-[(4-fluorophenyl)methyl]-N,3-dimethyl-N-(4-methylpentan-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 46580894
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 46656222) is [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)nc(C(C)C)n1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LYWUERNSQRBNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6OS/c1-16(2)24-28-17(3)13-23(29-24)31-9-11-32(12-10-31)25(34)22-14-21-18(4)30-33(26(21)35-22)15-19-5-7-20(27)8-6-19/h5-8,13-14,16H,9-12,15H2,1-4H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 492.62 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46656222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).