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

C25H29N9 — CID 166562983

IUPAC7-(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
SMILESCc1nn(C)cc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1C1=CCCC1
InChIInChI=1S/C25H29N9/c1-17-22(16-32(2)30-17)21-13-20-15-28-25(31-34(20)24(21)18-5-3-4-6-18)29-23-8-7-19(14-27-23)33-11-9-26-10-12-33/h5,7-8,13-16,26H,3-4,6,9-12H2,1-2H3,(H,27,29,31)
InChIKeyROSSKXPURZLUPJ-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.55
Rot. Bonds5

About 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

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 (PubChem CID 166562983) has the molecular formula C25H29N9 and a molecular weight of 455.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID166562983
Molecular FormulaC25H29N9
Molecular Weight455.57 g/mol
Exact Mass455.25
IUPAC Name7-(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
SMILESCc1nn(C)cc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1C1=CCCC1
InChIInChI=1S/C25H29N9/c1-17-22(16-32(2)30-17)21-13-20-15-28-25(31-34(20)24(21)18-5-3-4-6-18)29-23-8-7-19(14-27-23)33-11-9-26-10-12-33/h5,7-8,13-16,26H,3-4,6,9-12H2,1-2H3,(H,27,29,31)
InChIKeyROSSKXPURZLUPJ-UHFFFAOYSA-N
XLogP3.55
TPSA88.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
tert-butyl 4-[6-[[7-cyclopentyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 166562981
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
8-cyclopentyl-10-methyl-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 58300068
7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58016035
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037394
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712093
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nn2c1C1=CCCC1.
What is the InChIKey of 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?
The InChIKey is ROSSKXPURZLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9/c1-17-22(16-32(2)30-17)21-13-20-15-28-25(31-34(20)24(21)18-5-3-4-6-18)29-23-8-7-19(14-27-23)33-11-9-26-10-12-33/h5,7-8,13-16,26H,3-4,6,9-12H2,1-2H3,(H,27,29,31).
What are the key properties of 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?
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 has a molecular weight of 455.57 g/mol, XLogP of 3.55, 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-dimethylpyrazol-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 166562983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).