6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine

C18H12Cl3N5 — CID 11675798

IUPAC6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
SMILESClc1cnc2[nH]cc(-c3cccc(NCc4ccc(Cl)c(Cl)c4)n3)c2n1
InChIInChI=1S/C18H12Cl3N5/c19-12-5-4-10(6-13(12)20)7-22-16-3-1-2-14(25-16)11-8-23-18-17(11)26-15(21)9-24-18/h1-6,8-9H,7H2,(H,22,25)(H,23,24)
InChIKeyZAFQUWSTGYDOOA-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.59
Rot. Bonds4

About 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine

6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine (PubChem CID 11675798) has the molecular formula C18H12Cl3N5 and a molecular weight of 404.69 g/mol. Its IUPAC name is 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
PubChem CID11675798
Molecular FormulaC18H12Cl3N5
Molecular Weight404.69 g/mol
Exact Mass403.02
IUPAC Name6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
SMILESClc1cnc2[nH]cc(-c3cccc(NCc4ccc(Cl)c(Cl)c4)n3)c2n1
InChIInChI=1S/C18H12Cl3N5/c19-12-5-4-10(6-13(12)20)7-22-16-3-1-2-14(25-16)11-8-23-18-17(11)26-15(21)9-24-18/h1-6,8-9H,7H2,(H,22,25)(H,23,24)
InChIKeyZAFQUWSTGYDOOA-UHFFFAOYSA-N
XLogP5.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine (CID 11675798) is 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine is Clc1cnc2[nH]cc(-c3cccc(NCc4ccc(Cl)c(Cl)c4)n3)c2n1.
What is the InChIKey of 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The InChIKey is ZAFQUWSTGYDOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N5/c19-12-5-4-10(6-13(12)20)7-22-16-3-1-2-14(25-16)11-8-23-18-17(11)26-15(21)9-24-18/h1-6,8-9H,7H2,(H,22,25)(H,23,24).
What are the key properties of 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine has a molecular weight of 404.69 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 11675798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).