acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine

C19H25N5S — CID 170792248

IUPACacetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
SMILESC#C.CCc1cc(NCc2cccs2)c2[nH]c(NCCN)c(C)c2n1
InChIInChI=1S/C17H23N5S.C2H2/c1-3-12-9-14(20-10-13-5-4-8-23-13)16-15(21-12)11(2)17(22-16)19-7-6-18;1-2/h4-5,8-9,19,22H,3,6-7,10,18H2,1-2H3,(H,20,21);1-2H
InChIKeyMRPXUISBWHROID-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.73
Rot. Bonds7

About acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine

acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine (PubChem CID 170792248) has the molecular formula C19H25N5S and a molecular weight of 355.51 g/mol. Its IUPAC name is acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine.

Molecular Properties

Compound Nameacetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
PubChem CID170792248
Molecular FormulaC19H25N5S
Molecular Weight355.51 g/mol
Exact Mass355.18
IUPAC Nameacetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
SMILESC#C.CCc1cc(NCc2cccs2)c2[nH]c(NCCN)c(C)c2n1
InChIInChI=1S/C17H23N5S.C2H2/c1-3-12-9-14(20-10-13-5-4-8-23-13)16-15(21-12)11(2)17(22-16)19-7-6-18;1-2/h4-5,8-9,19,22H,3,6-7,10,18H2,1-2H3,(H,20,21);1-2H
InChIKeyMRPXUISBWHROID-UHFFFAOYSA-N
XLogP3.73
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 154681150
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
2-(2-aminoethyl)-5-(aziridin-2-yl)-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170792205
2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 154681174
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
2-(2-amino-4-fluorobutyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-7-amine
CID 170335773
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43227956
2-ethyl-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-3,7-diamine
CID 154681334
2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066266

Frequently Asked Questions

What is the IUPAC name of acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine?
The IUPAC name of 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) is acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine.
What is the SMILES notation for acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine?
The canonical SMILES for acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine is C#C.CCc1cc(NCc2cccs2)c2[nH]c(NCCN)c(C)c2n1.
What is the InChIKey of acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine?
The InChIKey is MRPXUISBWHROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S.C2H2/c1-3-12-9-14(20-10-13-5-4-8-23-13)16-15(21-12)11(2)17(22-16)19-7-6-18;1-2/h4-5,8-9,19,22H,3,6-7,10,18H2,1-2H3,(H,20,21);1-2H.
What are the key properties of acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine?
acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine has a molecular weight of 355.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine is sourced from PubChem (CID 170792248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).