5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid

C19H14ClN5O2 — CID 56908331

IUPAC5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(Cl)c1
InChIInChI=1S/C19H14ClN5O2/c20-15-7-11(19(26)27)9-24-17(15)14-8-16(25-18-13(14)4-6-22-18)23-10-12-3-1-2-5-21-12/h1-9H,10H2,(H,26,27)(H2,22,23,25)
InChIKeyVQGFNKOFFKBSCE-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.98
Rot. Bonds5

About 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid

5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid (PubChem CID 56908331) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid
PubChem CID56908331
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(Cl)c1
InChIInChI=1S/C19H14ClN5O2/c20-15-7-11(19(26)27)9-24-17(15)14-8-16(25-18-13(14)4-6-22-18)23-10-12-3-1-2-5-21-12/h1-9H,10H2,(H,26,27)(H2,22,23,25)
InChIKeyVQGFNKOFFKBSCE-UHFFFAOYSA-N
XLogP3.98
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid (CID 56908331) is 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is VQGFNKOFFKBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-15-7-11(19(26)27)9-24-17(15)14-8-16(25-18-13(14)4-6-22-18)23-10-12-3-1-2-5-21-12/h1-9H,10H2,(H,26,27)(H2,22,23,25).
What are the key properties of 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid?
5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 379.81 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 56908331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).