N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H28N8 — CID 90185527

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCN(CC4(c5ccccc5)CC4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C24H28N8/c1-18-16-21(28-27-18)25-22-20-8-5-11-32(20)29-23(26-22)31-14-12-30(13-15-31)17-24(9-10-24)19-6-3-2-4-7-19/h2-8,11,16H,9-10,12-15,17H2,1H3,(H2,25,26,27,28,29)
InChIKeyQOCWTJDXEWBOIC-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.36
Rot. Bonds6

About N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 90185527) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID90185527
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCN(CC4(c5ccccc5)CC4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C24H28N8/c1-18-16-21(28-27-18)25-22-20-8-5-11-32(20)29-23(26-22)31-14-12-30(13-15-31)17-24(9-10-24)19-6-3-2-4-7-19/h2-8,11,16H,9-10,12-15,17H2,1H3,(H2,25,26,27,28,29)
InChIKeyQOCWTJDXEWBOIC-UHFFFAOYSA-N
XLogP3.36
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 90185527) is N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc(Nc2nc(N3CCN(CC4(c5ccccc5)CC4)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QOCWTJDXEWBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-18-16-21(28-27-18)25-22-20-8-5-11-32(20)29-23(26-22)31-14-12-30(13-15-31)17-24(9-10-24)19-6-3-2-4-7-19/h2-8,11,16H,9-10,12-15,17H2,1H3,(H2,25,26,27,28,29).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 90185527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).