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

C20H21FN6OS — CID 135390569

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C20H21FN6OS/c21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12/h1-2,9,11-12,22H,3-8,10H2,(H,23,28)
InChIKeyBTVOPBCDBRHMPF-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.65
Rot. Bonds4

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

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390569) 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-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390569
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C20H21FN6OS/c21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12/h1-2,9,11-12,22H,3-8,10H2,(H,23,28)
InChIKeyBTVOPBCDBRHMPF-UHFFFAOYSA-N
XLogP2.65
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
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-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390569) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-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-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is BTVOPBCDBRHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6OS/c21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12/h1-2,9,11-12,22H,3-8,10H2,(H,23,28).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 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-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).