N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C27H33N3O3 — CID 90090874

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-19-24(26(32)29-22(17-31)21-7-3-2-4-8-21)30-16-5-9-23(25(30)28-19)33-18-20-10-14-27(15-11-20)12-6-13-27/h2-5,7-9,16,20,22,31H,6,10-15,17-18H2,1H3,(H,29,32)/t22-/m0/s1
InChIKeyQZMKAYLZTUUTTE-QFIPXVFZSA-N
MW447.58 g/mol
LogP4.85
Rot. Bonds7

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090874) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090874
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-19-24(26(32)29-22(17-31)21-7-3-2-4-8-21)30-16-5-9-23(25(30)28-19)33-18-20-10-14-27(15-11-20)12-6-13-27/h2-5,7-9,16,20,22,31H,6,10-15,17-18H2,1H3,(H,29,32)/t22-/m0/s1
InChIKeyQZMKAYLZTUUTTE-QFIPXVFZSA-N
XLogP4.85
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 90090874) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QZMKAYLZTUUTTE-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-24(26(32)29-22(17-31)21-7-3-2-4-8-21)30-16-5-9-23(25(30)28-19)33-18-20-10-14-27(15-11-20)12-6-13-27/h2-5,7-9,16,20,22,31H,6,10-15,17-18H2,1H3,(H,29,32)/t22-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).