1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol

C24H29FN8OS — CID 164709940

IUPAC1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol
SMILESCCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)O)n(C)nc5c4C)n3)nc2)CC1
InChIInChI=1S/C24H29FN8OS/c1-5-32-8-10-33(11-9-32)16-6-7-18(26-12-16)28-24-27-13-17(25)20(29-24)22-14(2)19-23(35-22)21(15(3)34)31(4)30-19/h6-7,12-13,15,34H,5,8-11H2,1-4H3,(H,26,27,28,29)
InChIKeyWLBNZRKVGBALHV-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.87
Rot. Bonds6

About 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol

1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol (PubChem CID 164709940) has the molecular formula C24H29FN8OS and a molecular weight of 496.62 g/mol. Its IUPAC name is 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol
PubChem CID164709940
Molecular FormulaC24H29FN8OS
Molecular Weight496.62 g/mol
Exact Mass496.22
IUPAC Name1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol
SMILESCCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)O)n(C)nc5c4C)n3)nc2)CC1
InChIInChI=1S/C24H29FN8OS/c1-5-32-8-10-33(11-9-32)16-6-7-18(26-12-16)28-24-27-13-17(25)20(29-24)22-14(2)19-23(35-22)21(15(3)34)31(4)30-19/h6-7,12-13,15,34H,5,8-11H2,1-4H3,(H,26,27,28,29)
InChIKeyWLBNZRKVGBALHV-UHFFFAOYSA-N
XLogP3.87
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol with MolForge

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Related Compounds

(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
US11685744, Example 105
CID 164709785
US11685744, Example 102
CID 164709858
US11685744, Example 17
CID 164709910
US11685744, Example 106
CID 164709723
[1-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)piperidin-4-yl](pyridin-2-yl)methanol
CID 72838851
1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-3-(3-fluoro-4-pyridinyl)propan-1-ol
CID 67209512
1-(4-Fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 123536195
(3S)-1-[hydroxy-[2-(1-pyridin-3-ylethylamino)-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methyl]pyrrolidin-3-ol
CID 137539758
2-[6-[[4-[2-Amino-7-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855101
2-[6-[[4-[2-Amino-7-(difluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855150

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol?
The IUPAC name of 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol (CID 164709940) is 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol is CCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)O)n(C)nc5c4C)n3)nc2)CC1.
What is the InChIKey of 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol?
The InChIKey is WLBNZRKVGBALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8OS/c1-5-32-8-10-33(11-9-32)16-6-7-18(26-12-16)28-24-27-13-17(25)20(29-24)22-14(2)19-23(35-22)21(15(3)34)31(4)30-19/h6-7,12-13,15,34H,5,8-11H2,1-4H3,(H,26,27,28,29).
What are the key properties of 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol?
1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol has a molecular weight of 496.62 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,6-dimethylthieno[3,2-c]pyrazol-3-yl]ethanol is sourced from PubChem (CID 164709940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).