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

C19H18FN5O2S — CID 135390006

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C19H18FN5O2S/c20-13-1-2-14-12(7-13)3-5-25(14)16-15-18(23-10-22-16)28-19(24-15)17(26)21-8-11-4-6-27-9-11/h1-2,7,10-11H,3-6,8-9H2,(H,21,26)
InChIKeyYARUDKDWMFHNKE-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.69
Rot. Bonds4

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

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390006) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390006
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C19H18FN5O2S/c20-13-1-2-14-12(7-13)3-5-25(14)16-15-18(23-10-22-16)28-19(24-15)17(26)21-8-11-4-6-27-9-11/h1-2,7,10-11H,3-6,8-9H2,(H,21,26)
InChIKeyYARUDKDWMFHNKE-UHFFFAOYSA-N
XLogP2.69
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390006) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NCC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is YARUDKDWMFHNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c20-13-1-2-14-12(7-13)3-5-25(14)16-15-18(23-10-22-16)28-19(24-15)17(26)21-8-11-4-6-27-9-11/h1-2,7,10-11H,3-6,8-9H2,(H,21,26).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.69, 4 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-(oxolan-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).