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

C21H21Cl3N6 — CID 127024150

IUPAC8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1
InChIInChI=1S/C21H21Cl3N6/c22-14-1-4-16(23)13(9-14)12-29-5-7-30(8-6-29)21-20(26-15-2-3-15)28-19-17(24)10-25-11-18(19)27-21/h1,4,9-11,15H,2-3,5-8,12H2,(H,26,28)
InChIKeyNOMUGARFSCVXPU-UHFFFAOYSA-N
MW463.80 g/mol
LogP4.88
Rot. Bonds5

About 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine

8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (PubChem CID 127024150) has the molecular formula C21H21Cl3N6 and a molecular weight of 463.80 g/mol. Its IUPAC name is 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
PubChem CID127024150
Molecular FormulaC21H21Cl3N6
Molecular Weight463.80 g/mol
Exact Mass462.09
IUPAC Name8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1
InChIInChI=1S/C21H21Cl3N6/c22-14-1-4-16(23)13(9-14)12-29-5-7-30(8-6-29)21-20(26-15-2-3-15)28-19-17(24)10-25-11-18(19)27-21/h1,4,9-11,15H,2-3,5-8,12H2,(H,26,28)
InChIKeyNOMUGARFSCVXPU-UHFFFAOYSA-N
XLogP4.88
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine (CID 127024150) is 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is Clc1ccc(Cl)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1.
What is the InChIKey of 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
The InChIKey is NOMUGARFSCVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N6/c22-14-1-4-16(23)13(9-14)12-29-5-7-30(8-6-29)21-20(26-15-2-3-15)28-19-17(24)10-25-11-18(19)27-21/h1,4,9-11,15H,2-3,5-8,12H2,(H,26,28).
What are the key properties of 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine?
8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine has a molecular weight of 463.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 127024150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).