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

C25H29FN6O2S — CID 135390350

IUPAC7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCCC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C25H29FN6O2S/c26-17-3-4-20-19(13-17)16(5-10-31-8-1-2-9-31)14-32(20)22-21-24(28-15-27-22)35-25(30-21)23(33)29-18-6-11-34-12-7-18/h3-4,13,15-16,18H,1-2,5-12,14H2,(H,29,33)
InChIKeySBQJFWXTRZGPOP-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.86
Rot. Bonds6

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

7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390350) has the molecular formula C25H29FN6O2S and a molecular weight of 496.61 g/mol. Its IUPAC name is 7-[5-fluoro-3-(2-pyrrolidin-1-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-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390350
Molecular FormulaC25H29FN6O2S
Molecular Weight496.61 g/mol
Exact Mass496.21
IUPAC Name7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCN4CCCC4)c4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C25H29FN6O2S/c26-17-3-4-20-19(13-17)16(5-10-31-8-1-2-9-31)14-32(20)22-21-24(28-15-27-22)35-25(30-21)23(33)29-18-6-11-34-12-7-18/h3-4,13,15-16,18H,1-2,5-12,14H2,(H,29,33)
InChIKeySBQJFWXTRZGPOP-UHFFFAOYSA-N
XLogP3.86
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[5-fluoro-3-(2-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390350) is 7-[5-fluoro-3-(2-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-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(CCN4CCCC4)c4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is SBQJFWXTRZGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2S/c26-17-3-4-20-19(13-17)16(5-10-31-8-1-2-9-31)14-32(20)22-21-24(28-15-27-22)35-25(30-21)23(33)29-18-6-11-34-12-7-18/h3-4,13,15-16,18H,1-2,5-12,14H2,(H,29,33).
What are the key properties of 7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).