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

C21H20ClN7 — CID 5330391

IUPACN-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCn4cccn4)c3)n2)c1
InChIInChI=1S/C21H20ClN7/c22-17-4-1-5-18(11-17)27-21-15-24-14-20(28-21)16-10-19(13-23-12-16)25-6-2-8-29-9-3-7-26-29/h1,3-5,7,9-15,25H,2,6,8H2,(H,27,28)
InChIKeyYHWHYCTUDCULTF-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.63
Rot. Bonds8

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

N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330391) has the molecular formula C21H20ClN7 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330391
Molecular FormulaC21H20ClN7
Molecular Weight405.89 g/mol
Exact Mass405.15
IUPAC NameN-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCn4cccn4)c3)n2)c1
InChIInChI=1S/C21H20ClN7/c22-17-4-1-5-18(11-17)27-21-15-24-14-20(28-21)16-10-19(13-23-12-16)25-6-2-8-29-9-3-7-26-29/h1,3-5,7,9-15,25H,2,6,8H2,(H,27,28)
InChIKeyYHWHYCTUDCULTF-UHFFFAOYSA-N
XLogP4.63
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.63
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-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330391) is N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCn4cccn4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is YHWHYCTUDCULTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7/c22-17-4-1-5-18(11-17)27-21-15-24-14-20(28-21)16-10-19(13-23-12-16)25-6-2-8-29-9-3-7-26-29/h1,3-5,7,9-15,25H,2,6,8H2,(H,27,28).
What are the key properties of N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(3-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 405.89 g/mol, XLogP of 4.63, 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-pyrazol-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).