N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine

C23H28ClN7 — CID 5330379

IUPACN-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
SMILESCN1CCN(CCCNc2cncc(-c3cncc(Nc4cccc(Cl)c4)n3)c2)CC1
InChIInChI=1S/C23H28ClN7/c1-30-8-10-31(11-9-30)7-3-6-27-21-12-18(14-25-15-21)22-16-26-17-23(29-22)28-20-5-2-4-19(24)13-20/h2,4-5,12-17,27H,3,6-11H2,1H3,(H,28,29)
InChIKeyMRWZXJLKVRBEII-UHFFFAOYSA-N
MW437.98 g/mol
LogP3.98
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330379) has the molecular formula C23H28ClN7 and a molecular weight of 437.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
PubChem CID5330379
Molecular FormulaC23H28ClN7
Molecular Weight437.98 g/mol
Exact Mass437.21
IUPAC NameN-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
SMILESCN1CCN(CCCNc2cncc(-c3cncc(Nc4cccc(Cl)c4)n3)c2)CC1
InChIInChI=1S/C23H28ClN7/c1-30-8-10-31(11-9-30)7-3-6-27-21-12-18(14-25-15-21)22-16-26-17-23(29-22)28-20-5-2-4-19(24)13-20/h2,4-5,12-17,27H,3,6-11H2,1H3,(H,28,29)
InChIKeyMRWZXJLKVRBEII-UHFFFAOYSA-N
XLogP3.98
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine (CID 5330379) is N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine is CN1CCN(CCCNc2cncc(-c3cncc(Nc4cccc(Cl)c4)n3)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The InChIKey is MRWZXJLKVRBEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7/c1-30-8-10-31(11-9-30)7-3-6-27-21-12-18(14-25-15-21)22-16-26-17-23(29-22)28-20-5-2-4-19(24)13-20/h2,4-5,12-17,27H,3,6-11H2,1H3,(H,28,29).
What are the key properties of N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine has a molecular weight of 437.98 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).