2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine

C19H29N7 — CID 136539178

IUPAC2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cc2c(n1)CCCC2NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H29N7/c1-24-15-16-17(5-2-6-18(16)23-24)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,7-8,15,17,20H,2,4-6,9-14H2,1H3
InChIKeyGAZRUKJFTDCGLG-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.39
Rot. Bonds6

About 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine

2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 136539178) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID136539178
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cc2c(n1)CCCC2NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H29N7/c1-24-15-16-17(5-2-6-18(16)23-24)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,7-8,15,17,20H,2,4-6,9-14H2,1H3
InChIKeyGAZRUKJFTDCGLG-UHFFFAOYSA-N
XLogP1.39
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
(3R)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]spiro[3.4]octan-3-amine
CID 99827051
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 46595882
(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 129353398
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 37302509
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 136539178) is 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1cc2c(n1)CCCC2NCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GAZRUKJFTDCGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-24-15-16-17(5-2-6-18(16)23-24)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,7-8,15,17,20H,2,4-6,9-14H2,1H3.
What are the key properties of 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine?
2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 355.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 136539178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).