7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide

C63H147IN25O2S- — CID 165020635

About 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide

7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide (PubChem CID 165020635) has the molecular formula C63H147IN25O2S- and a molecular weight of 1446.01 g/mol. Its IUPAC name is 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide.

Molecular Properties

• Compound Name: 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide
• PubChem CID: 165020635
• Molecular Formula: C63H147IN25O2S-
• Molecular Weight: 1446.01 g/mol
• Exact Mass: 1445.09
• IUPAC Name: 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide
• SMILES: C.N#Cc1cn2c(n1)CC(N)CC2.[C-]#[N+]c1cnc2[nH]ccc2c1NC1CCn2cc(C#N)nc2C1.[C-]#[N+]c1cnc2[nH]ccc2c1NC1CCn2cc(C#N)nc2C1.[C-]#[N+]c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCn2cc(C#N)nc2C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[I-]
• InChI: InChI=1S/C22H17N7O2S.2C16H13N7.C8H10N4.CH4.HI.45H2/c1-24-19-13-25-22-18(8-10-29(22)32(30,31)17-5-3-2-4-6-17)21(19)27-15-7-9-28-14-16(12-23)26-20(28)11-15;2*1-18-13-8-20-16-12(2-4-19-16)15(13)22-10-3-5-23-9-11(7-17)21-14(23)6-10;9-4-7-5-12-2-1-6(10)3-8(12)11-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-6,8,10,13-15H,7,9,11H2,(H,25,27);2*2,4,8-10H,3,5-6H2,(H2,19,20,22);5-6H,1-3,10H2;1H4;46*1H/p-1
• InChIKey: AZAODGPWUUBIHZ-UHFFFAOYSA-M
• XLogP: 17.28
• TPSA: 350.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1446.01
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide?

The IUPAC name of 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide (CID 165020635) is 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide.

What is the SMILES notation for 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide?

The canonical SMILES for 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide is C.N#Cc1cn2c(n1)CC(N)CC2.[C-]#[N+]c1cnc2[nH]ccc2c1NC1CCn2cc(C#N)nc2C1.[C-]#[N+]c1cnc2[nH]ccc2c1NC1CCn2cc(C#N)nc2C1.[C-]#[N+]c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCn2cc(C#N)nc2C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[I-].

What is the InChIKey of 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide?

The InChIKey is AZAODGPWUUBIHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17N7O2S.2C16H13N7.C8H10N4.CH4.HI.45H2/c1-24-19-13-25-22-18(8-10-29(22)32(30,31)17-5-3-2-4-6-17)21(19)27-15-7-9-28-14-16(12-23)26-20(28)11-15;2*1-18-13-8-20-16-12(2-4-19-16)15(13)22-10-3-5-23-9-11(7-17)21-14(23)6-10;9-4-7-5-12-2-1-6(10)3-8(12)11-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-6,8,10,13-15H,7,9,11H2,(H,25,27);2*2,4,8-10H,3,5-6H2,(H2,19,20,22);5-6H,1-3,10H2;1H4;46*1H/p-1.

What are the key properties of 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide?

7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide has a molecular weight of 1446.01 g/mol, XLogP of 17.28, 8 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;7-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile;bis(7-[(5-isocyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonitrile);methane;molecular hydrogen;iodide is sourced from PubChem (CID 165020635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).