N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

C22H26ClN7 — CID 5330378

IUPACN-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCNCC4)c3)n2)c1
InChIInChI=1S/C22H26ClN7/c23-18-3-1-4-19(12-18)28-22-16-26-15-21(29-22)17-11-20(14-25-13-17)27-5-2-8-30-9-6-24-7-10-30/h1,3-4,11-16,24,27H,2,5-10H2,(H,28,29)
InChIKeyDERTUZZNGDWMOY-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.64
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330378) has the molecular formula C22H26ClN7 and a molecular weight of 423.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330378
Molecular FormulaC22H26ClN7
Molecular Weight423.95 g/mol
Exact Mass423.19
IUPAC NameN-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCNCC4)c3)n2)c1
InChIInChI=1S/C22H26ClN7/c23-18-3-1-4-19(12-18)28-22-16-26-15-21(29-22)17-11-20(14-25-13-17)27-5-2-8-30-9-6-24-7-10-30/h1,3-4,11-16,24,27H,2,5-10H2,(H,28,29)
InChIKeyDERTUZZNGDWMOY-UHFFFAOYSA-N
XLogP3.64
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 5330369
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dipropylpropane-1,3-diamine
CID 142130337
N-(3-chlorophenyl)-6-(5-ethyl-3-pyridinyl)pyrazin-2-amine
CID 58774159
2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798343
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(3-methylphenyl)-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 91217991
2-N-[3-(3-nitrophenyl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798345
N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide
CID 142130325
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
6-chloro-N-(2-piperazin-1-ylethyl)pyrazin-2-amine
CID 116650770
2-N-[3-(1H-indol-3-yl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798522

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330378) is N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCNCC4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is DERTUZZNGDWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7/c23-18-3-1-4-19(12-18)28-22-16-26-15-21(29-22)17-11-20(14-25-13-17)27-5-2-8-30-9-6-24-7-10-30/h1,3-4,11-16,24,27H,2,5-10H2,(H,28,29).
What are the key properties of N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 423.95 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).