(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

C22H25FN4O2S — CID 150918452

IUPAC(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
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NCC5(O)CCC5)sc4C3)cc12
InChIInChI=1S/C22H25FN4O2S/c1-2-13-8-14(23)9-17-15(13)10-18(25-17)20(28)27-7-4-16-19(11-27)30-21(26-16)24-12-22(29)5-3-6-22/h8-10,25,29H,2-7,11-12H2,1H3,(H,24,26)
InChIKeyLDMUVYMYDUARMC-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.85
Rot. Bonds5

About (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

(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 (PubChem CID 150918452) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID150918452
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name(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
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NCC5(O)CCC5)sc4C3)cc12
InChIInChI=1S/C22H25FN4O2S/c1-2-13-8-14(23)9-17-15(13)10-18(25-17)20(28)27-7-4-16-19(11-27)30-21(26-16)24-12-22(29)5-3-6-22/h8-10,25,29H,2-7,11-12H2,1H3,(H,24,26)
InChIKeyLDMUVYMYDUARMC-UHFFFAOYSA-N
XLogP3.85
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
(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
(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
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
(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
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
[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
[3-(1-bicyclo[1.1.1]pentanyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 151269573
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 142576723
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1cc(F)cc2[nH]c(C(=O)N3CCc4nc(NCC5(O)CCC5)sc4C3)cc12.
What is the InChIKey of (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?
The InChIKey is LDMUVYMYDUARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-2-13-8-14(23)9-17-15(13)10-18(25-17)20(28)27-7-4-16-19(11-27)30-21(26-16)24-12-22(29)5-3-6-22/h8-10,25,29H,2-7,11-12H2,1H3,(H,24,26).
What are the key properties of (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?
(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 has a molecular weight of 428.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 150918452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).