ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid

C23H27N5O2 — CID 143928179

IUPACethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCC.CC.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C19H15N5O2.2C2H6/c1-12-18(24-9-3-2-4-17(24)22-12)13-7-8-20-16(10-13)23-15-6-5-14(11-21-15)19(25)26;2*1-2/h2-11H,1H3,(H,25,26)(H,20,21,23);2*1-2H3
InChIKeyLVMQWCZDDGOVFJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.59
Rot. Bonds4

About ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid

ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 143928179) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID143928179
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Nameethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCC.CC.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C19H15N5O2.2C2H6/c1-12-18(24-9-3-2-4-17(24)22-12)13-7-8-20-16(10-13)23-15-6-5-14(11-21-15)19(25)26;2*1-2/h2-11H,1H3,(H,25,26)(H,20,21,23);2*1-2H3
InChIKeyLVMQWCZDDGOVFJ-UHFFFAOYSA-N
XLogP5.59
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid (CID 143928179) is ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid is CC.CC.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is LVMQWCZDDGOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2.2C2H6/c1-12-18(24-9-3-2-4-17(24)22-12)13-7-8-20-16(10-13)23-15-6-5-14(11-21-15)19(25)26;2*1-2/h2-11H,1H3,(H,25,26)(H,20,21,23);2*1-2H3.
What are the key properties of ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 405.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 143928179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).