3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

C29H30N4O3 — CID 11619983

IUPAC3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12
InChIInChI=1S/C29H30N4O3/c1-19(2)36-27-11-10-23(16-24(27)17-30)29(35)31-25(12-14-34)15-21-6-8-22(9-7-21)26-18-33-13-4-5-20(3)28(33)32-26/h4-11,13,16,18-19,25,34H,12,14-15H2,1-3H3,(H,31,35)/t25-/m1/s1
InChIKeyOFXLDXQJVJZUIS-RUZDIDTESA-N
MW482.58 g/mol
LogP4.69
Rot. Bonds9

About 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 11619983) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID11619983
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12
InChIInChI=1S/C29H30N4O3/c1-19(2)36-27-11-10-23(16-24(27)17-30)29(35)31-25(12-14-34)15-21-6-8-22(9-7-21)26-18-33-13-4-5-20(3)28(33)32-26/h4-11,13,16,18-19,25,34H,12,14-15H2,1-3H3,(H,31,35)/t25-/m1/s1
InChIKeyOFXLDXQJVJZUIS-RUZDIDTESA-N
XLogP4.69
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (CID 11619983) is 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12.
What is the InChIKey of 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is OFXLDXQJVJZUIS-RUZDIDTESA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19(2)36-27-11-10-23(16-24(27)17-30)29(35)31-25(12-14-34)15-21-6-8-22(9-7-21)26-18-33-13-4-5-20(3)28(33)32-26/h4-11,13,16,18-19,25,34H,12,14-15H2,1-3H3,(H,31,35)/t25-/m1/s1.
What are the key properties of 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 482.58 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 11619983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).