4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane — IUPAC name, SMILES, InChIKey & properties

Name: 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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

4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane (PubChem CID 162104925) has the molecular formula C72H85ClN22O3S and a molecular weight of 1374.14 g/mol. Its IUPAC name is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane.

Molecular Properties

Compound Name	4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane
PubChem CID	162104925
Molecular Formula	C72H85ClN22O3S
Molecular Weight	1374.14 g/mol
Exact Mass	1372.66
IUPAC Name	4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane
SMILES	C.C.CC(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)CC1.CCN(CC)C(=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChI	InChI=1S/C25H25N7OS.C23H27ClN8O.C22H25N7O.2CH4/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;1-3-30(4-2)23(33)31-10-8-14(9-11-31)22-29-19(20-21(25)26-13-27-32(20)22)17-12-15-6-5-7-16(24)18(15)28-17;1-13(30)24-11-14-6-8-15(9-7-14)22-28-19(20-21(23)25-12-26-29(20)22)18-10-16-4-2-3-5-17(16)27-18;;/h1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29);5-7,12-14,28H,3-4,8-11H2,1-2H3,(H2,25,26,27);2-5,10,12,14-15,27H,6-9,11H2,1H3,(H,24,30)(H2,23,25,26);2*1H4
InChIKey	ZFJKCMMPUYHJFL-UHFFFAOYSA-N
XLogP	13.31
TPSA	336.42 Å²
H-Bond Donors	8
H-Bond Acceptors	19
Rotatable Bonds	13
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.14
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Analyze 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane?

The IUPAC name of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane (CID 162104925) is 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane.

What is the SMILES notation for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane?

The canonical SMILES for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane is C.C.CC(=O)NCC1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)CC1.CCN(CC)C(=O)N1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)ncnn23)CC1.Nc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane?

The InChIKey is ZFJKCMMPUYHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS.C23H27ClN8O.C22H25N7O.2CH4/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;1-3-30(4-2)23(33)31-10-8-14(9-11-31)22-29-19(20-21(25)26-13-27-32(20)22)17-12-15-6-5-7-16(24)18(15)28-17;1-13(30)24-11-14-6-8-15(9-7-14)22-28-19(20-21(23)25-12-26-29(20)22)18-10-16-4-2-3-5-17(16)27-18;;/h1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29);5-7,12-14,28H,3-4,8-11H2,1-2H3,(H2,25,26,27);2-5,10,12,14-15,27H,6-9,11H2,1H3,(H,24,30)(H2,23,25,26);2*1H4.

What are the key properties of 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane?

Where does this data come from?

All data for 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;methane is sourced from PubChem (CID 162104925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).