(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C21H23FN4O2S — CID 142576510

IUPAC(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NC5(CO)CCC5)sc4C3)cc12
InChIInChI=1S/C21H23FN4O2S/c1-12-7-13(22)8-16-14(12)9-17(23-16)19(28)26-6-3-15-18(10-26)29-20(24-15)25-21(11-27)4-2-5-21/h7-9,23,27H,2-6,10-11H2,1H3,(H,24,25)
InChIKeyXNLAUPOKTVGQRD-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.60
Rot. Bonds4

About (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 142576510) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID142576510
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NC5(CO)CCC5)sc4C3)cc12
InChIInChI=1S/C21H23FN4O2S/c1-12-7-13(22)8-16-14(12)9-17(23-16)19(28)26-6-3-15-18(10-26)29-20(24-15)25-21(11-27)4-2-5-21/h7-9,23,27H,2-6,10-11H2,1H3,(H,24,25)
InChIKeyXNLAUPOKTVGQRD-UHFFFAOYSA-N
XLogP3.60
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 142576436
[2-[[1-(hydroxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576232
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[(1-hydroxycyclobutyl)methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 150918452
(4,5-difluoro-1H-indol-2-yl)-[2-[(1-hydroxycyclobutyl)methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 151434471
N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 150010082
1H-indol-2-yl-[2-[[1-(methoxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 154637663
(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 150805748
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[[(3R)-oxolan-3-yl]methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576459
N-[5-(4-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylcyclopropane-1-carboxamide
CID 142576556
ethyl 1-[[[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]methyl]cyclopropane-1-carboxylate
CID 142576396
(5,6-difluoro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576493
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 142576510) is (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is Cc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NC5(CO)CCC5)sc4C3)cc12.
What is the InChIKey of (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is XNLAUPOKTVGQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-12-7-13(22)8-16-14(12)9-17(23-16)19(28)26-6-3-15-18(10-26)29-20(24-15)25-21(11-27)4-2-5-21/h7-9,23,27H,2-6,10-11H2,1H3,(H,24,25).
What are the key properties of (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-methyl-1H-indol-2-yl)-[2-[[1-(hydroxymethyl)cyclobutyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 142576510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).