acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane

C57H58Cl2N12S2 — CID 145245173

About acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane

acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane (PubChem CID 145245173) has the molecular formula C57H58Cl2N12S2 and a molecular weight of 1046.21 g/mol. Its IUPAC name is acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane.

Molecular Properties

• Compound Name: acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane
• PubChem CID: 145245173
• Molecular Formula: C57H58Cl2N12S2
• Molecular Weight: 1046.21 g/mol
• Exact Mass: 1044.37
• IUPAC Name: acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane
• SMILES: C#C.C#C.C=C(CC(C)C)Nc1cncc(-c2ccc(N)c(CC(=C)Nc3ccnc(-c4ccc(Cl)s4)c3C)n2)c1.CC.Cc1ccncc1-c1ccc(N)c(Cc2nc3c(-c4ccc(Cl)s4)nccc3[nH]2)n1
• InChI: InChI=1S/C29H31ClN6S.C22H17ClN6S.C2H6.2C2H2/c1-17(2)12-18(3)34-22-14-21(15-32-16-22)25-7-6-23(31)26(36-25)13-19(4)35-24-10-11-33-29(20(24)5)27-8-9-28(30)37-27;1-12-6-8-25-11-13(12)15-3-2-14(24)17(27-15)10-20-28-16-7-9-26-22(21(16)29-20)18-4-5-19(23)30-18;3*1-2/h6-11,14-17,34H,3-4,12-13,31H2,1-2,5H3,(H,33,35);2-9,11H,10,24H2,1H3,(H,28,29);1-2H3;2*1-2H
• InChIKey: LUUKFQQVRYCHMC-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 182.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.21
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane?

The IUPAC name of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane (CID 145245173) is acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane.

What is the SMILES notation for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane?

The canonical SMILES for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane is C#C.C#C.C=C(CC(C)C)Nc1cncc(-c2ccc(N)c(CC(=C)Nc3ccnc(-c4ccc(Cl)s4)c3C)n2)c1.CC.Cc1ccncc1-c1ccc(N)c(Cc2nc3c(-c4ccc(Cl)s4)nccc3[nH]2)n1.

What is the InChIKey of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane?

The InChIKey is LUUKFQQVRYCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN6S.C22H17ClN6S.C2H6.2C2H2/c1-17(2)12-18(3)34-22-14-21(15-32-16-22)25-7-6-23(31)26(36-25)13-19(4)35-24-10-11-33-29(20(24)5)27-8-9-28(30)37-27;1-12-6-8-25-11-13(12)15-3-2-14(24)17(27-15)10-20-28-16-7-9-26-22(21(16)29-20)18-4-5-19(23)30-18;3*1-2/h6-11,14-17,34H,3-4,12-13,31H2,1-2,5H3,(H,33,35);2-9,11H,10,24H2,1H3,(H,28,29);1-2H3;2*1-2H.

What are the key properties of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane?

acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane has a molecular weight of 1046.21 g/mol, XLogP of 14.75, 14 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(4-methyl-3-pyridinyl)pyridin-3-amine;2-[2-[[2-(5-chlorothiophen-2-yl)-3-methyl-4-pyridinyl]amino]prop-2-enyl]-6-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]pyridin-3-amine;ethane is sourced from PubChem (CID 145245173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).