ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol

C21H31N3OS — CID 164865883

IUPACethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCC.Cc1c(C(C)CO)[nH]c2c(NCc3cccs3)cc(C(C)C)nc12
InChIInChI=1S/C19H25N3OS.C2H6/c1-11(2)15-8-16(20-9-14-6-5-7-24-14)19-18(21-15)13(4)17(22-19)12(3)10-23;1-2/h5-8,11-12,22-23H,9-10H2,1-4H3,(H,20,21);1-2H3
InChIKeyIUWVDIJHQPFBLF-UHFFFAOYSA-N
MW373.57 g/mol
LogP5.79
Rot. Bonds6

About ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol

ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 164865883) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Nameethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol
PubChem CID164865883
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Nameethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol
SMILESCC.Cc1c(C(C)CO)[nH]c2c(NCc3cccs3)cc(C(C)C)nc12
InChIInChI=1S/C19H25N3OS.C2H6/c1-11(2)15-8-16(20-9-14-6-5-7-24-14)19-18(21-15)13(4)17(22-19)12(3)10-23;1-2/h5-8,11-12,22-23H,9-10H2,1-4H3,(H,20,21);1-2H3
InChIKeyIUWVDIJHQPFBLF-UHFFFAOYSA-N
XLogP5.79
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.57
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
CID 170792248
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43227956
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
methyl 6-chloro-3-methyl-4-(thiophen-2-ylmethylamino)pyridine-2-carboxylate
CID 90839890
3-bromo-5-chloro-2-(1,1-difluoropropyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 170585128
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol (CID 164865883) is ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol is CC.Cc1c(C(C)CO)[nH]c2c(NCc3cccs3)cc(C(C)C)nc12.
What is the InChIKey of ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol?
The InChIKey is IUWVDIJHQPFBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.C2H6/c1-11(2)15-8-16(20-9-14-6-5-7-24-14)19-18(21-15)13(4)17(22-19)12(3)10-23;1-2/h5-8,11-12,22-23H,9-10H2,1-4H3,(H,20,21);1-2H3.
What are the key properties of ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol?
ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 373.57 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-methyl-5-propan-2-yl-7-(thiophen-2-ylmethylamino)-1H-pyrrolo[3,2-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 164865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).