3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid

C69H85FN10O7 — CID 175786693

IUPAC3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1.CN[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4OC)cc3=O)C3(CCCC3)C2)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C35H43N5O4.C34H42FN5O3/c1-37(23-33(42)43)29-15-19-40(31(20-29)27-12-6-3-7-13-27)34(44)38-18-14-28(35(24-38)16-8-9-17-35)22-39-25-36-30(21-32(39)41)26-10-4-2-5-11-26;1-36-27-14-18-40(30(19-27)24-9-11-26(35)12-10-24)33(42)38-17-13-25(34(22-38)15-5-6-16-34)21-39-23-37-29(20-32(39)41)28-7-3-4-8-31(28)43-2/h2-7,10-13,21,25,28-29,31H,8-9,14-20,22-24H2,1H3,(H,42,43);3-4,7-12,20,23,25,27,30,36H,5-6,13-19,21-22H2,1-2H3/t28-,29+,31-;25-,27+,30-/m00/s1
InChIKeyZXVXBCVPMNXJCY-YVHNAOBLSA-N
MW1185.50 g/mol
LogP10.62
Rot. Bonds13

About 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid

3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid (PubChem CID 175786693) has the molecular formula C69H85FN10O7 and a molecular weight of 1185.50 g/mol. Its IUPAC name is 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
PubChem CID175786693
Molecular FormulaC69H85FN10O7
Molecular Weight1185.50 g/mol
Exact Mass1184.66
IUPAC Name3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1.CN[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4OC)cc3=O)C3(CCCC3)C2)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C35H43N5O4.C34H42FN5O3/c1-37(23-33(42)43)29-15-19-40(31(20-29)27-12-6-3-7-13-27)34(44)38-18-14-28(35(24-38)16-8-9-17-35)22-39-25-36-30(21-32(39)41)26-10-4-2-5-11-26;1-36-27-14-18-40(30(19-27)24-9-11-26(35)12-10-24)33(42)38-17-13-25(34(22-38)15-5-6-16-34)21-39-23-37-29(20-32(39)41)28-7-3-4-8-31(28)43-2/h2-7,10-13,21,25,28-29,31H,8-9,14-20,22-24H2,1H3,(H,42,43);3-4,7-12,20,23,25,27,30,36H,5-6,13-19,21-22H2,1-2H3/t28-,29+,31-;25-,27+,30-/m00/s1
InChIKeyZXVXBCVPMNXJCY-YVHNAOBLSA-N
XLogP10.62
TPSA178.68 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.50
LogP ≤ 510.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic 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

2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
CID 175786694
3-[[(10R)-7-[(2S,4R)-2-(3-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 165142209
3-[[(10R)-7-[(2S,4R)-2-(2,3-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one
CID 167460304
3-[[(10R)-7-[(4R)-2-(3,5-difluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
CID 167460333
N-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]propanamide
CID 175835547
3-[[(10R)-7-[(4R)-2-(3,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 167460332
1-[10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 175786560
3-[[(10R)-7-[(2S)-4-[(2-cyclopropyl-2-oxoethyl)amino]-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one;nickel
CID 167460293
6-fluoro-3-[[(10R)-7-[(2S,4R)-2-(3-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 165141685
3-[[7-[(2R)-2-(3,5-difluorophenyl)piperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 165141762
3-(3,5-difluorophenyl)-4-[10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]piperazine-1-carboxylic acid
CID 175786686
tert-butyl N-[(2S,4R)-1-[10-[(6-fluoro-4-oxoquinazolin-3-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]carbamate
CID 165142094

Frequently Asked Questions

What is the IUPAC name of 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid?
The IUPAC name of 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid (CID 175786693) is 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid?
The canonical SMILES for 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid is CN(CC(=O)O)[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1.CN[C@@H]1CCN(C(=O)N2CC[C@@H](Cn3cnc(-c4ccccc4OC)cc3=O)C3(CCCC3)C2)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid?
The InChIKey is ZXVXBCVPMNXJCY-YVHNAOBLSA-N. The full InChI is InChI=1S/C35H43N5O4.C34H42FN5O3/c1-37(23-33(42)43)29-15-19-40(31(20-29)27-12-6-3-7-13-27)34(44)38-18-14-28(35(24-38)16-8-9-17-35)22-39-25-36-30(21-32(39)41)26-10-4-2-5-11-26;1-36-27-14-18-40(30(19-27)24-9-11-26(35)12-10-24)33(42)38-17-13-25(34(22-38)15-5-6-16-34)21-39-23-37-29(20-32(39)41)28-7-3-4-8-31(28)43-2/h2-7,10-13,21,25,28-29,31H,8-9,14-20,22-24H2,1H3,(H,42,43);3-4,7-12,20,23,25,27,30,36H,5-6,13-19,21-22H2,1-2H3/t28-,29+,31-;25-,27+,30-/m00/s1.
What are the key properties of 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid?
3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid has a molecular weight of 1185.50 g/mol, XLogP of 10.62, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(10R)-7-[(2S,4R)-2-(4-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one;2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 175786693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).