7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid

C29H34N4O3 — CID 174191932

IUPAC7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid
SMILESCc1c(N2CCC3(CN(C(=O)O)C3)C2)nc2c(c1-c1cccc3cc(O)ccc13)CCN(C(C)C)C2
InChIInChI=1S/C29H34N4O3/c1-18(2)31-11-9-24-25(14-31)30-27(32-12-10-29(15-32)16-33(17-29)28(35)36)19(3)26(24)23-6-4-5-20-13-21(34)7-8-22(20)23/h4-8,13,18,34H,9-12,14-17H2,1-3H3,(H,35,36)
InChIKeyQWECRASNYQWGHX-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.87
Rot. Bonds3

About 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid

7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid (PubChem CID 174191932) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid
PubChem CID174191932
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid
SMILESCc1c(N2CCC3(CN(C(=O)O)C3)C2)nc2c(c1-c1cccc3cc(O)ccc13)CCN(C(C)C)C2
InChIInChI=1S/C29H34N4O3/c1-18(2)31-11-9-24-25(14-31)30-27(32-12-10-29(15-32)16-33(17-29)28(35)36)19(3)26(24)23-6-4-5-20-13-21(34)7-8-22(20)23/h4-8,13,18,34H,9-12,14-17H2,1-3H3,(H,35,36)
InChIKeyQWECRASNYQWGHX-UHFFFAOYSA-N
XLogP4.87
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-[4-(2-chloro-5-hydroxyphenyl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 167037163
7-cyclopropyl-4-(2-fluorophenyl)-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 167037529
7-[4-(2-fluorophenyl)-7-[5-methyl-1-(methylamino)-1-oxohexan-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 174192131
1-[7-[4-(1,6-dimethylindazol-7-yl)-3-methyl-7-[(3S)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 174191969
4-(2-fluorophenyl)-7-(1-methylimidazol-2-yl)-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 167037594
(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone
CID 171934660
(1R,9S)-6-(2-fluoro-5-hydroxyphenyl)-12-propan-2-yl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carbonitrile
CID 175995900
N-[4-[3-cyano-6,6-dimethyl-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-5,7-dihydrocyclopenta[b]pyridin-4-yl]naphthalen-2-yl]methanesulfonamide
CID 167037552
4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol
CID 167037892
2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(1,5,6-trimethylindazol-7-yl)quinoline-3-carbonitrile
CID 167037710
2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 167037217
6-(2-chloro-5-hydroxyphenyl)-10-propan-2-yl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3,10-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile
CID 167037153

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid (CID 174191932) is 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid is Cc1c(N2CCC3(CN(C(=O)O)C3)C2)nc2c(c1-c1cccc3cc(O)ccc13)CCN(C(C)C)C2.
What is the InChIKey of 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is QWECRASNYQWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-18(2)31-11-9-24-25(14-31)30-27(32-12-10-29(15-32)16-33(17-29)28(35)36)19(3)26(24)23-6-4-5-20-13-21(34)7-8-22(20)23/h4-8,13,18,34H,9-12,14-17H2,1-3H3,(H,35,36).
What are the key properties of 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid?
7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 486.62 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-hydroxynaphthalen-1-yl)-3-methyl-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 174191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).