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

C23H24N8O — CID 155432629

IUPAC7-(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
SMILESC1=C(c2c(-c3cnco3)cc3cnc(Nc4ccc(N5CCNCC5)cn4)nn23)CCC1
InChIInChI=1S/C23H24N8O/c1-2-4-16(3-1)22-19(20-14-25-15-32-20)11-18-13-27-23(29-31(18)22)28-21-6-5-17(12-26-21)30-9-7-24-8-10-30/h3,5-6,11-15,24H,1-2,4,7-10H2,(H,26,28,29)
InChIKeyVVXSBCWKZZUZDK-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.50
Rot. Bonds5

About 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

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 (PubChem CID 155432629) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID155432629
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name7-(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
SMILESC1=C(c2c(-c3cnco3)cc3cnc(Nc4ccc(N5CCNCC5)cn4)nn23)CCC1
InChIInChI=1S/C23H24N8O/c1-2-4-16(3-1)22-19(20-14-25-15-32-20)11-18-13-27-23(29-31(18)22)28-21-6-5-17(12-26-21)30-9-7-24-8-10-30/h3,5-6,11-15,24H,1-2,4,7-10H2,(H,26,28,29)
InChIKeyVVXSBCWKZZUZDK-UHFFFAOYSA-N
XLogP3.50
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
4-(1,3-oxazol-5-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926773
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
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
N-(5-piperazin-1-yl-2-pyridinyl)-6-piperidin-1-ylimidazo[1,2-b]pyridazin-8-amine
CID 70878752
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(c2c(-c3cnco3)cc3cnc(Nc4ccc(N5CCNCC5)cn4)nn23)CCC1.
What is the InChIKey of 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?
The InChIKey is VVXSBCWKZZUZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-2-4-16(3-1)22-19(20-14-25-15-32-20)11-18-13-27-23(29-31(18)22)28-21-6-5-17(12-26-21)30-9-7-24-8-10-30/h3,5-6,11-15,24H,1-2,4,7-10H2,(H,26,28,29).
What are the key properties of 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?
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 has a molecular weight of 428.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155432629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).