5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid

C23H20N4O2 — CID 90152618

IUPAC5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C23H20N4O2/c28-23(29)20-12-18(16-1-2-16)13-25-22(20)26-19-3-4-21-17(11-19)7-10-27(21)14-15-5-8-24-9-6-15/h3-13,16H,1-2,14H2,(H,25,26)(H,28,29)
InChIKeyOTBIFTZMIJLNSK-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.80
Rot. Bonds6

About 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152618) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152618
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C23H20N4O2/c28-23(29)20-12-18(16-1-2-16)13-25-22(20)26-19-3-4-21-17(11-19)7-10-27(21)14-15-5-8-24-9-6-15/h3-13,16H,1-2,14H2,(H,25,26)(H,28,29)
InChIKeyOTBIFTZMIJLNSK-UHFFFAOYSA-N
XLogP4.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152618) is 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccncc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is OTBIFTZMIJLNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(29)20-12-18(16-1-2-16)13-25-22(20)26-19-3-4-21-17(11-19)7-10-27(21)14-15-5-8-24-9-6-15/h3-13,16H,1-2,14H2,(H,25,26)(H,28,29).
What are the key properties of 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).