(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

C34H43N5O3 — CID 166141617

IUPAC(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1cccc2cc(O)cc(C(=O)N3Cc4nc(OCC5(CN6CCCCC6)CC5)nc(N5CCCC(C)C5)c4C3)c12
InChIInChI=1S/C34H43N5O3/c1-23-8-7-15-38(18-23)31-28-19-39(32(41)27-17-26(40)16-25-10-6-9-24(2)30(25)27)20-29(28)35-33(36-31)42-22-34(11-12-34)21-37-13-4-3-5-14-37/h6,9-10,16-17,23,40H,3-5,7-8,11-15,18-22H2,1-2H3
InChIKeyLFUMVOGKDLNCER-UHFFFAOYSA-N
MW569.75 g/mol
LogP5.68
Rot. Bonds7

About (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 166141617) has the molecular formula C34H43N5O3 and a molecular weight of 569.75 g/mol. Its IUPAC name is (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID166141617
Molecular FormulaC34H43N5O3
Molecular Weight569.75 g/mol
Exact Mass569.34
IUPAC Name(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1cccc2cc(O)cc(C(=O)N3Cc4nc(OCC5(CN6CCCCC6)CC5)nc(N5CCCC(C)C5)c4C3)c12
InChIInChI=1S/C34H43N5O3/c1-23-8-7-15-38(18-23)31-28-19-39(32(41)27-17-26(40)16-25-10-6-9-24(2)30(25)27)20-29(28)35-33(36-31)42-22-34(11-12-34)21-37-13-4-3-5-14-37/h6,9-10,16-17,23,40H,3-5,7-8,11-15,18-22H2,1-2H3
InChIKeyLFUMVOGKDLNCER-UHFFFAOYSA-N
XLogP5.68
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone 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

(3-hydroxy-8-methylnaphthalen-1-yl)-[2-[[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 166141799
[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(3-methylpiperidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3-hydroxy-8-methylnaphthalen-1-yl)methanone
CID 166141782
[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(2-methylazepan-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(8-ethynyl-3-hydroxynaphthalen-1-yl)methanone
CID 166141774
(8-ethynyl-3-hydroxynaphthalen-1-yl)-[4-methyl-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 166141839
1-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-6-(8-methylnaphthalene-1-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperidine-3-carbonitrile
CID 166141760
5-bromo-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166141618
2-fluoro-1-[4-[7-(8-methylnaphthalen-1-yl)-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155348560
1-[(2R)-2-(isocyanomethyl)-4-[7-(8-methylnaphthalen-1-yl)-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155794204
5-ethyl-6-fluoro-4-[8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167120201
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 167168745
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-2-ol
CID 165407171
benzyl (2S,6S)-2-(cyanomethyl)-4-[7-(7-fluoro-8-methylnaphthalen-1-yl)-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-methylpiperazine-1-carboxylate
CID 175894638

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 166141617) is (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is Cc1cccc2cc(O)cc(C(=O)N3Cc4nc(OCC5(CN6CCCCC6)CC5)nc(N5CCCC(C)C5)c4C3)c12.
What is the InChIKey of (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is LFUMVOGKDLNCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3/c1-23-8-7-15-38(18-23)31-28-19-39(32(41)27-17-26(40)16-25-10-6-9-24(2)30(25)27)20-29(28)35-33(36-31)42-22-34(11-12-34)21-37-13-4-3-5-14-37/h6,9-10,16-17,23,40H,3-5,7-8,11-15,18-22H2,1-2H3.
What are the key properties of (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
(3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 569.75 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-methylnaphthalen-1-yl)-[4-(3-methylpiperidin-1-yl)-2-[[1-(piperidin-1-ylmethyl)cyclopropyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 166141617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).