6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

C26H31N5O3 — CID 155433977

IUPAC6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESNc1ccc2ncn(CC3(O)CCN(C(=O)[C@H]4CCCC[C@@H]4c4ccccc4)CC3)c(=O)c2n1
InChIInChI=1S/C26H31N5O3/c27-22-11-10-21-23(29-22)25(33)31(17-28-21)16-26(34)12-14-30(15-13-26)24(32)20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-3,6-7,10-11,17,19-20,34H,4-5,8-9,12-16H2,(H2,27,29)/t19-,20+/m1/s1
InChIKeyPGRZADJDEQOZPX-UXHICEINSA-N
MW461.57 g/mol
LogP2.70
Rot. Bonds4

About 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 155433977) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID155433977
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESNc1ccc2ncn(CC3(O)CCN(C(=O)[C@H]4CCCC[C@@H]4c4ccccc4)CC3)c(=O)c2n1
InChIInChI=1S/C26H31N5O3/c27-22-11-10-21-23(29-22)25(33)31(17-28-21)16-26(34)12-14-30(15-13-26)24(32)20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-3,6-7,10-11,17,19-20,34H,4-5,8-9,12-16H2,(H2,27,29)/t19-,20+/m1/s1
InChIKeyPGRZADJDEQOZPX-UXHICEINSA-N
XLogP2.70
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 150037575
6-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 151080774
3-[[4-hydroxy-1-(2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-7-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434051
3-[[1-[(3R,4R)-1-benzoyl-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539992
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-7-methylquinazolin-4-one
CID 170125371
N-[3-[[4-hydroxy-1-[(3R,4R)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-2-phenylacetamide
CID 138608165
3-[[4-hydroxy-1-[(1R,2R,3R)-3-hydroxy-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434200
3-[[4-hydroxy-1-[(1S,2S)-2-thiophen-3-ylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434355
3-[[4-hydroxy-1-[(3R,4R)-1-(3-methylbenzoyl)-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138540578
methyl 2-[(3R,4R)-4-[4-hydroxy-4-[(7-methyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl)methyl]piperidine-1-carbonyl]-3-phenylpiperidine-1-carbonyl]benzoate
CID 138539752
3-[[1-[(3R,4R)-1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539676
3-[[1-[1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539677

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 155433977) is 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is Nc1ccc2ncn(CC3(O)CCN(C(=O)[C@H]4CCCC[C@@H]4c4ccccc4)CC3)c(=O)c2n1.
What is the InChIKey of 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PGRZADJDEQOZPX-UXHICEINSA-N. The full InChI is InChI=1S/C26H31N5O3/c27-22-11-10-21-23(29-22)25(33)31(17-28-21)16-26(34)12-14-30(15-13-26)24(32)20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-3,6-7,10-11,17,19-20,34H,4-5,8-9,12-16H2,(H2,27,29)/t19-,20+/m1/s1.
What are the key properties of 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 461.57 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 155433977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).