N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

C19H15Cl2N5 — CID 52934260

IUPACN-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESClc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1
InChIInChI=1S/C19H15Cl2N5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
InChIKeyIHUPHYFSKVFFFO-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.86
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 52934260) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
PubChem CID52934260
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESClc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1
InChIInChI=1S/C19H15Cl2N5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26)
InChIKeyIHUPHYFSKVFFFO-UHFFFAOYSA-N
XLogP4.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 52934260) is N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The InChIKey is IHUPHYFSKVFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c20-15-6-16-14(10-25-19(16)26-11-15)5-12-2-4-18(23-7-12)24-9-13-1-3-17(21)22-8-13/h1-4,6-8,10-11H,5,9H2,(H,23,24)(H,25,26).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 384.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 52934260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).