4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane

C79H80N20O10S7 — CID 159324109

IUPAC4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane
SMILESC.CC#Cc1cc2c(N)ncc(C(N)=O)c2s1.COCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.N#CCCCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.NC(=O)c1cnc(N)c2cc(C#CCCCO)sc12.NC(=O)c1cnc(N)c2cc(C#CCN3CCS(=O)(=O)CC3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12
InChIInChI=1S/C15H16N4O3S2.C14H12N4OS.C13H13N3O2S.C13H15N3OS.C12H11N3O2S.C11H9N3OS.CH4/c16-14-11-8-10(23-13(11)12(9-18-14)15(17)20)2-1-3-19-4-6-24(21,22)7-5-19;15-6-4-2-1-3-5-9-7-10-12(20-9)11(14(17)19)8-18-13(10)16;14-12-9-6-8(4-2-1-3-5-17)19-11(9)10(7-16-12)13(15)18;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13;1-2-3-6-4-7-9(16-6)8(11(13)15)5-14-10(7)12;/h8-9H,3-7H2,(H2,16,18)(H2,17,20);7-8H,1-2,4H2,(H2,16,18)(H2,17,19);6-7,17H,1,3,5H2,(H2,14,16)(H2,15,18);5-7H,1-4H2,(H2,14,16)(H2,15,17);5-6H,4H2,1H3,(H2,13,15)(H2,14,16);4-5H,1H3,(H2,12,14)(H2,13,15);1H4
InChIKeyLEDGJZDLNLDQDM-UHFFFAOYSA-N
MW1694.11 g/mol
LogP8.78
Rot. Bonds13

About 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane

4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane (PubChem CID 159324109) has the molecular formula C79H80N20O10S7 and a molecular weight of 1694.11 g/mol. Its IUPAC name is 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane.

Molecular Properties

Compound Name4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane
PubChem CID159324109
Molecular FormulaC79H80N20O10S7
Molecular Weight1694.11 g/mol
Exact Mass1692.44
IUPAC Name4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane
SMILESC.CC#Cc1cc2c(N)ncc(C(N)=O)c2s1.COCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.N#CCCCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.NC(=O)c1cnc(N)c2cc(C#CCCCO)sc12.NC(=O)c1cnc(N)c2cc(C#CCN3CCS(=O)(=O)CC3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12
InChIInChI=1S/C15H16N4O3S2.C14H12N4OS.C13H13N3O2S.C13H15N3OS.C12H11N3O2S.C11H9N3OS.CH4/c16-14-11-8-10(23-13(11)12(9-18-14)15(17)20)2-1-3-19-4-6-24(21,22)7-5-19;15-6-4-2-1-3-5-9-7-10-12(20-9)11(14(17)19)8-18-13(10)16;14-12-9-6-8(4-2-1-3-5-17)19-11(9)10(7-16-12)13(15)18;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13;1-2-3-6-4-7-9(16-6)8(11(13)15)5-14-10(7)12;/h8-9H,3-7H2,(H2,16,18)(H2,17,20);7-8H,1-2,4H2,(H2,16,18)(H2,17,19);6-7,17H,1,3,5H2,(H2,14,16)(H2,15,18);5-7H,1-4H2,(H2,14,16)(H2,15,17);5-6H,4H2,1H3,(H2,13,15)(H2,14,16);4-5H,1H3,(H2,12,14)(H2,13,15);1H4
InChIKeyLEDGJZDLNLDQDM-UHFFFAOYSA-N
XLogP8.78
TPSA582.63 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms116
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001694.11
LogP ≤ 58.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane?
The IUPAC name of 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane (CID 159324109) is 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane.
What is the SMILES notation for 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane?
The canonical SMILES for 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane is C.CC#Cc1cc2c(N)ncc(C(N)=O)c2s1.COCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.N#CCCCC#Cc1cc2c(N)ncc(C(N)=O)c2s1.NC(=O)c1cnc(N)c2cc(C#CCCCO)sc12.NC(=O)c1cnc(N)c2cc(C#CCN3CCS(=O)(=O)CC3)sc12.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12.
What is the InChIKey of 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane?
The InChIKey is LEDGJZDLNLDQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2.C14H12N4OS.C13H13N3O2S.C13H15N3OS.C12H11N3O2S.C11H9N3OS.CH4/c16-14-11-8-10(23-13(11)12(9-18-14)15(17)20)2-1-3-19-4-6-24(21,22)7-5-19;15-6-4-2-1-3-5-9-7-10-12(20-9)11(14(17)19)8-18-13(10)16;14-12-9-6-8(4-2-1-3-5-17)19-11(9)10(7-16-12)13(15)18;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;1-17-4-2-3-7-5-8-10(18-7)9(12(14)16)6-15-11(8)13;1-2-3-6-4-7-9(16-6)8(11(13)15)5-14-10(7)12;/h8-9H,3-7H2,(H2,16,18)(H2,17,20);7-8H,1-2,4H2,(H2,16,18)(H2,17,19);6-7,17H,1,3,5H2,(H2,14,16)(H2,15,18);5-7H,1-4H2,(H2,14,16)(H2,15,17);5-6H,4H2,1H3,(H2,13,15)(H2,14,16);4-5H,1H3,(H2,12,14)(H2,13,15);1H4.
What are the key properties of 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane?
4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane has a molecular weight of 1694.11 g/mol, XLogP of 8.78, 13 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-cyanopent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)prop-1-ynyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(5-hydroxypent-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxyprop-1-ynyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-prop-1-ynylthieno[3,2-c]pyridine-7-carboxamide;methane is sourced from PubChem (CID 159324109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).