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

C25H29FN6O3S — CID 135390484

IUPAC7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C25H29FN6O3S/c26-17-1-2-20-19(13-17)16(3-6-31-7-11-35-12-8-31)14-32(20)22-21-24(28-15-27-22)36-25(30-21)23(33)29-18-4-9-34-10-5-18/h1-2,13,15-16,18H,3-12,14H2,(H,29,33)
InChIKeyIIQQBDBHPXBEGR-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.09
Rot. Bonds6

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

7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390484) has the molecular formula C25H29FN6O3S and a molecular weight of 512.61 g/mol. Its IUPAC name is 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390484
Molecular FormulaC25H29FN6O3S
Molecular Weight512.61 g/mol
Exact Mass512.20
IUPAC Name7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C25H29FN6O3S/c26-17-1-2-20-19(13-17)16(3-6-31-7-11-35-12-8-31)14-32(20)22-21-24(28-15-27-22)36-25(30-21)23(33)29-18-4-9-34-10-5-18/h1-2,13,15-16,18H,3-12,14H2,(H,29,33)
InChIKeyIIQQBDBHPXBEGR-UHFFFAOYSA-N
XLogP3.09
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390484) is 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCOCC4)c4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is IIQQBDBHPXBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3S/c26-17-1-2-20-19(13-17)16(3-6-31-7-11-35-12-8-31)14-32(20)22-21-24(28-15-27-22)36-25(30-21)23(33)29-18-4-9-34-10-5-18/h1-2,13,15-16,18H,3-12,14H2,(H,29,33).
What are the key properties of 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).