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

C22H24N4O3S — CID 142576396

IUPACethyl 1-[[[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNc2nc3c(s2)CN(C(=O)c2cc4ccccc4[nH]2)CC3)CC1
InChIInChI=1S/C22H24N4O3S/c1-2-29-20(28)22(8-9-22)13-23-21-25-16-7-10-26(12-18(16)30-21)19(27)17-11-14-5-3-4-6-15(14)24-17/h3-6,11,24H,2,7-10,12-13H2,1H3,(H,23,25)
InChIKeyQRDFPVHPRRAAGZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.58
Rot. Bonds6

About 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

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 (PubChem CID 142576396) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 1-[[[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]methyl]cyclopropane-1-carboxylate
PubChem CID142576396
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Nameethyl 1-[[[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNc2nc3c(s2)CN(C(=O)c2cc4ccccc4[nH]2)CC3)CC1
InChIInChI=1S/C22H24N4O3S/c1-2-29-20(28)22(8-9-22)13-23-21-25-16-7-10-26(12-18(16)30-21)19(27)17-11-14-5-3-4-6-15(14)24-17/h3-6,11,24H,2,7-10,12-13H2,1H3,(H,23,25)
InChIKeyQRDFPVHPRRAAGZ-UHFFFAOYSA-N
XLogP3.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[[1-(hydroxymethyl)cyclopropyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576232
[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
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]cyclopropanecarboxamide
CID 90525454
[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
1-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylsulfonylurea
CID 154637650
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
CID 154637669
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 150471098
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C1(CNc2nc3c(s2)CN(C(=O)c2cc4ccccc4[nH]2)CC3)CC1.
What is the InChIKey of 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?
The InChIKey is QRDFPVHPRRAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-29-20(28)22(8-9-22)13-23-21-25-16-7-10-26(12-18(16)30-21)19(27)17-11-14-5-3-4-6-15(14)24-17/h3-6,11,24H,2,7-10,12-13H2,1H3,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 424.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142576396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).