N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide

C25H25N7OS — CID 135887088

IUPACN-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide
SMILESNc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H25N7OS/c26-23-22-21(20-11-17-3-1-2-4-19(17)30-20)31-24(32(22)29-14-28-23)16-7-5-15(6-8-16)12-27-25(33)18-9-10-34-13-18/h1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29)
InChIKeyKFFMCODCJCCKSO-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.62
Rot. Bonds5

About N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide

N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide (PubChem CID 135887088) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide
PubChem CID135887088
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC NameN-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide
SMILESNc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H25N7OS/c26-23-22-21(20-11-17-3-1-2-4-19(17)30-20)31-24(32(22)29-14-28-23)16-7-5-15(6-8-16)12-27-25(33)18-9-10-34-13-18/h1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29)
InChIKeyKFFMCODCJCCKSO-UHFFFAOYSA-N
XLogP4.62
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide (CID 135887088) is N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide is Nc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide?
The InChIKey is KFFMCODCJCCKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c26-23-22-21(20-11-17-3-1-2-4-19(17)30-20)31-24(32(22)29-14-28-23)16-7-5-15(6-8-16)12-27-25(33)18-9-10-34-13-18/h1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29).
What are the key properties of N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide?
N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 135887088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).