6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C29H36N4O — CID 170729886

IUPAC6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(C1=CCCC=C1)C2c1cnc(N2CCC3(CCNCC3)CC2)nc1
InChIInChI=1S/C29H36N4O/c34-24-7-9-26-22(18-24)6-8-25(21-4-2-1-3-5-21)27(26)23-19-31-28(32-20-23)33-16-12-29(13-17-33)10-14-30-15-11-29/h2,4-5,7,9,18-20,25,27,30,34H,1,3,6,8,10-17H2
InChIKeyURHNSHXJILYHOA-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.12
Rot. Bonds3

About 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170729886) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID170729886
Molecular FormulaC29H36N4O
Molecular Weight456.63 g/mol
Exact Mass456.29
IUPAC Name6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(C1=CCCC=C1)C2c1cnc(N2CCC3(CCNCC3)CC2)nc1
InChIInChI=1S/C29H36N4O/c34-24-7-9-26-22(18-24)6-8-25(21-4-2-1-3-5-21)27(26)23-19-31-28(32-20-23)33-16-12-29(13-17-33)10-14-30-15-11-29/h2,4-5,7,9,18-20,25,27,30,34H,1,3,6,8,10-17H2
InChIKeyURHNSHXJILYHOA-UHFFFAOYSA-N
XLogP5.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol 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

(5S,6S)-5-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170729501
(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324
[(5R,6S)-5-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]boronic acid
CID 164923078
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923491
3-[6-[5-[4-[4-(2-cyclohexa-1,5-dien-1-yl-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperazin-1-yl]pentoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142367305
(5R)-6-phenyl-5-[4-(2-piperazin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031736
2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134582698
6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 176660829
5-[2-[4-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperazin-1-yl]pyrimidin-5-yl]oxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 159381888
2-(2,6-dioxopiperidin-3-yl)-6-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 171720030

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 170729886) is 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(C1=CCCC=C1)C2c1cnc(N2CCC3(CCNCC3)CC2)nc1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is URHNSHXJILYHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c34-24-7-9-26-22(18-24)6-8-25(21-4-2-1-3-5-21)27(26)23-19-31-28(32-20-23)33-16-12-29(13-17-33)10-14-30-15-11-29/h2,4-5,7,9,18-20,25,27,30,34H,1,3,6,8,10-17H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 456.63 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170729886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).