2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

C22H32N4O3 — CID 23818934

IUPAC2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCc1nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn2c1NC1CCCCC1
InChIInChI=1S/C22H32N4O3/c1-4-14(3)19(22(28)29)25-21(27)15-11-12-26-18(13-15)24-17(5-2)20(26)23-16-9-7-6-8-10-16/h11-14,16,19,23H,4-10H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyYICPNDGMEDXYFL-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.87
Rot. Bonds8

About 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 23818934) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
PubChem CID23818934
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCc1nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn2c1NC1CCCCC1
InChIInChI=1S/C22H32N4O3/c1-4-14(3)19(22(28)29)25-21(27)15-11-12-26-18(13-15)24-17(5-2)20(26)23-16-9-7-6-8-10-16/h11-14,16,19,23H,4-10H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyYICPNDGMEDXYFL-UHFFFAOYSA-N
XLogP3.87
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (CID 23818934) is 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is CCc1nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn2c1NC1CCCCC1.
What is the InChIKey of 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is YICPNDGMEDXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-14(3)19(22(28)29)25-21(27)15-11-12-26-18(13-15)24-17(5-2)20(26)23-16-9-7-6-8-10-16/h11-14,16,19,23H,4-10H2,1-3H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 400.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 23818934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).