N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine

C21H22Cl2N6 — CID 118308572

IUPACN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C21H22Cl2N6/c22-15-1-4-17(23)14(11-15)13-28-7-9-29(10-8-28)21-20(25-16-2-3-16)26-18-5-6-24-12-19(18)27-21/h1,4-6,11-12,16H,2-3,7-10,13H2,(H,25,26)
InChIKeyKRTQXRRYWHBJRW-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.23
Rot. Bonds5

About N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine

N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 118308572) has the molecular formula C21H22Cl2N6 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID118308572
Molecular FormulaC21H22Cl2N6
Molecular Weight429.36 g/mol
Exact Mass428.13
IUPAC NameN-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C21H22Cl2N6/c22-15-1-4-17(23)14(11-15)13-28-7-9-29(10-8-28)21-20(25-16-2-3-16)26-18-5-6-24-12-19(18)27-21/h1,4-6,11-12,16H,2-3,7-10,13H2,(H,25,26)
InChIKeyKRTQXRRYWHBJRW-UHFFFAOYSA-N
XLogP4.23
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 118308572) is N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Clc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is KRTQXRRYWHBJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6/c22-15-1-4-17(23)14(11-15)13-28-7-9-29(10-8-28)21-20(25-16-2-3-16)26-18-5-6-24-12-19(18)27-21/h1,4-6,11-12,16H,2-3,7-10,13H2,(H,25,26).
What are the key properties of N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 429.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118308572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).