2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid

C24H27N5O4 — CID 122588892

IUPAC2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)O)C5)C4=O)cc23)cn1
InChIInChI=1S/C24H27N5O4/c1-15(2)33-20-6-3-16(12-25-20)22-18-11-17(4-5-19(18)26-27-22)29-10-8-24(23(29)32)7-9-28(14-24)13-21(30)31/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyJLNUNGAMANYSJJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid

2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid (PubChem CID 122588892) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid
PubChem CID122588892
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)O)C5)C4=O)cc23)cn1
InChIInChI=1S/C24H27N5O4/c1-15(2)33-20-6-3-16(12-25-20)22-18-11-17(4-5-19(18)26-27-22)29-10-8-24(23(29)32)7-9-28(14-24)13-21(30)31/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyJLNUNGAMANYSJJ-UHFFFAOYSA-N
XLogP2.93
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

US9914735, Example 72
CID 118401302
US10155751, Example 4
CID 126681029
N-(1H-indazol-5-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117072837
N-(1H-indazol-5-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117072835
N-(1H-indazol-5-yl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072899
N-(1H-indazol-5-yl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072901
N-(1H-indazol-5-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072911
N-(1H-indazol-5-yl)-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072913
6-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-(1H-indazol-5-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117072978
(3S)-1-[2-[4-[4-[1-[[amino(2-hydroxyethyl)amino]methylideneamino]ethenyl]-3-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 89101679
1-[2-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 134528485
benzyl (5R)-2-[4-fluoro-1-(oxan-2-yl)-3-(6-propan-2-yloxy-3-pyridinyl)indazol-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 141761471

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid?
The IUPAC name of 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid (CID 122588892) is 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid.
What is the SMILES notation for 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid?
The canonical SMILES for 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid is CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)O)C5)C4=O)cc23)cn1.
What is the InChIKey of 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid?
The InChIKey is JLNUNGAMANYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15(2)33-20-6-3-16(12-25-20)22-18-11-17(4-5-19(18)26-27-22)29-10-8-24(23(29)32)7-9-28(14-24)13-21(30)31/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,27)(H,30,31).
What are the key properties of 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid?
2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid has a molecular weight of 449.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-7-yl]acetic acid is sourced from PubChem (CID 122588892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).