[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

C22H26N4O2S — CID 142576560

IUPAC[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2nc(NCC(CO)CC3CC3)sc2C1
InChIInChI=1S/C22H26N4O2S/c27-13-15(9-14-5-6-14)11-23-22-25-18-7-8-26(12-20(18)29-22)21(28)19-10-16-3-1-2-4-17(16)24-19/h1-4,10,14-15,24,27H,5-9,11-13H2,(H,23,25)
InChIKeyFNNAONKVZJGKBN-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.64
Rot. Bonds7

About [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 142576560) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
PubChem CID142576560
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2nc(NCC(CO)CC3CC3)sc2C1
InChIInChI=1S/C22H26N4O2S/c27-13-15(9-14-5-6-14)11-23-22-25-18-7-8-26(12-20(18)29-22)21(28)19-10-16-3-1-2-4-17(16)24-19/h1-4,10,14-15,24,27H,5-9,11-13H2,(H,23,25)
InChIKeyFNNAONKVZJGKBN-UHFFFAOYSA-N
XLogP3.64
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

[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
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454
[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
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
CID 154637669
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-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 164702728
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
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
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
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
1-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylsulfonylurea
CID 154637650

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [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) is [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2nc(NCC(CO)CC3CC3)sc2C1.
What is the InChIKey of [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?
The InChIKey is FNNAONKVZJGKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c27-13-15(9-14-5-6-14)11-23-22-25-18-7-8-26(12-20(18)29-22)21(28)19-10-16-3-1-2-4-17(16)24-19/h1-4,10,14-15,24,27H,5-9,11-13H2,(H,23,25).
What are the key properties of [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?
[2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 410.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylmethyl)-3-hydroxypropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 142576560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).