4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H14ClN5 — CID 56913487

IUPAC4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C18H14ClN5/c19-15-5-3-8-21-17(15)14-10-16(24-18-13(14)6-9-22-18)23-11-12-4-1-2-7-20-12/h1-10H,11H2,(H2,22,23,24)
InChIKeyLUZBIYVUYGTHOM-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.29
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56913487) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56913487
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C18H14ClN5/c19-15-5-3-8-21-17(15)14-10-16(24-18-13(14)6-9-22-18)23-11-12-4-1-2-7-20-12/h1-10H,11H2,(H2,22,23,24)
InChIKeyLUZBIYVUYGTHOM-UHFFFAOYSA-N
XLogP4.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56913487) is 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Clc1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is LUZBIYVUYGTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-15-5-3-8-21-17(15)14-10-16(24-18-13(14)6-9-22-18)23-11-12-4-1-2-7-20-12/h1-10H,11H2,(H2,22,23,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 335.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).