7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C24H26N8O2 — CID 166563025

IUPAC7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(O)cc1
InChIInChI=1S/C24H26N8O2/c1-30(2)23(34)20-13-18-15-27-24(29-32(18)22(20)16-3-6-19(33)7-4-16)28-21-8-5-17(14-26-21)31-11-9-25-10-12-31/h3-8,13-15,25,33H,9-12H2,1-2H3,(H,26,28,29)
InChIKeyCQVOHUMWMAQVPN-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.35
Rot. Bonds5

About 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 166563025) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID166563025
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(O)cc1
InChIInChI=1S/C24H26N8O2/c1-30(2)23(34)20-13-18-15-27-24(29-32(18)22(20)16-3-6-19(33)7-4-16)28-21-8-5-17(14-26-21)31-11-9-25-10-12-31/h3-8,13-15,25,33H,9-12H2,1-2H3,(H,26,28,29)
InChIKeyCQVOHUMWMAQVPN-UHFFFAOYSA-N
XLogP2.35
TPSA110.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-fluorophenyl)-N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 166563030
7-(4-hydroxyphenyl)-N,N-dimethyl-2-[[(1Z,3E)-1-(methylideneamino)-4-piperazin-1-ylpenta-1,3-dienyl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 167282981
1-[7-(4-chlorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrrolidin-2-one
CID 166562940
2-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-7-(4-fluoro-2-methoxyphenyl)-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 166563028
7-(cyclopenten-1-yl)-6-(1,3-dimethylpyrazol-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 166562983
7-(cyclopenten-1-yl)-6-(1,3-oxazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 155432629
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 175096890
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 166563025) is 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1-c1ccc(O)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is CQVOHUMWMAQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-30(2)23(34)20-13-18-15-27-24(29-32(18)22(20)16-3-6-19(33)7-4-16)28-21-8-5-17(14-26-21)31-11-9-25-10-12-31/h3-8,13-15,25,33H,9-12H2,1-2H3,(H,26,28,29).
What are the key properties of 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 166563025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).