7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C20H21FN6OS — CID 135389981

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc3c(N4CCc5cc(F)ccc54)ncnc3s2)CC1
InChIInChI=1S/C20H21FN6OS/c1-26-7-5-14(6-8-26)24-18(28)20-25-16-17(22-11-23-19(16)29-20)27-9-4-12-10-13(21)2-3-15(12)27/h2-3,10-11,14H,4-9H2,1H3,(H,24,28)
InChIKeyULHZSFVCDCMUFY-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.74
Rot. Bonds3

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135389981) has the molecular formula C20H21FN6OS and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135389981
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2nc3c(N4CCc5cc(F)ccc54)ncnc3s2)CC1
InChIInChI=1S/C20H21FN6OS/c1-26-7-5-14(6-8-26)24-18(28)20-25-16-17(22-11-23-19(16)29-20)27-9-4-12-10-13(21)2-3-15(12)27/h2-3,10-11,14H,4-9H2,1H3,(H,24,28)
InChIKeyULHZSFVCDCMUFY-UHFFFAOYSA-N
XLogP2.74
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 25263293
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CID 25263294
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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135389981) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN1CCC(NC(=O)c2nc3c(N4CCc5cc(F)ccc54)ncnc3s2)CC1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is ULHZSFVCDCMUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6OS/c1-26-7-5-14(6-8-26)24-18(28)20-25-16-17(22-11-23-19(16)29-20)27-9-4-12-10-13(21)2-3-15(12)27/h2-3,10-11,14H,4-9H2,1H3,(H,24,28).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135389981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).