(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C20H20ClFN4O2S — CID 142576338

IUPAC(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(Cl)ccc(F)c2[nH]1)N1CCc2nc(NCC3CCOC3)sc2C1
InChIInChI=1S/C20H20ClFN4O2S/c21-13-1-2-14(22)18-12(13)7-16(24-18)19(27)26-5-3-15-17(9-26)29-20(25-15)23-8-11-4-6-28-10-11/h1-2,7,11,24H,3-6,8-10H2,(H,23,25)
InChIKeyXTOLHPQEKWZHEL-UHFFFAOYSA-N
MW434.92 g/mol
LogP4.06
Rot. Bonds4

About (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 142576338) has the molecular formula C20H20ClFN4O2S and a molecular weight of 434.92 g/mol. Its IUPAC name is (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID142576338
Molecular FormulaC20H20ClFN4O2S
Molecular Weight434.92 g/mol
Exact Mass434.10
IUPAC Name(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(Cl)ccc(F)c2[nH]1)N1CCc2nc(NCC3CCOC3)sc2C1
InChIInChI=1S/C20H20ClFN4O2S/c21-13-1-2-14(22)18-12(13)7-16(24-18)19(27)26-5-3-15-17(9-26)29-20(25-15)23-8-11-4-6-28-10-11/h1-2,7,11,24H,3-6,8-10H2,(H,23,25)
InChIKeyXTOLHPQEKWZHEL-UHFFFAOYSA-N
XLogP4.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(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
(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
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
(6-chloro-1H-indol-2-yl)-[2-[(4-methylcyclohexyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576132
1H-indol-2-yl-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576423
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
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
(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
[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576560
[2-[(2-cyclopropyl-3-hydroxypropyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576190
(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
(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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 142576338) is (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1cc2c(Cl)ccc(F)c2[nH]1)N1CCc2nc(NCC3CCOC3)sc2C1.
What is the InChIKey of (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is XTOLHPQEKWZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2S/c21-13-1-2-14(22)18-12(13)7-16(24-18)19(27)26-5-3-15-17(9-26)29-20(25-15)23-8-11-4-6-28-10-11/h1-2,7,11,24H,3-6,8-10H2,(H,23,25).
What are the key properties of (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 434.92 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-fluoro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 142576338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).