(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

C24H27N5O4 — CID 68739676

IUPAC(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccccc1-c1cc2cnc(N[C@@H]3CCCN(C(=O)O)C3)nc2n([C@@H]2CCOC2)c1=O
InChIInChI=1S/C24H27N5O4/c1-15-5-2-3-7-19(15)20-11-16-12-25-23(26-17-6-4-9-28(13-17)24(31)32)27-21(16)29(22(20)30)18-8-10-33-14-18/h2-3,5,7,11-12,17-18H,4,6,8-10,13-14H2,1H3,(H,31,32)(H,25,26,27)/t17-,18-/m1/s1
InChIKeyMOFRUAXAADORCZ-QZTJIDSGSA-N
MW449.51 g/mol
LogP3.28
Rot. Bonds4

About (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid

(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 68739676) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID68739676
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccccc1-c1cc2cnc(N[C@@H]3CCCN(C(=O)O)C3)nc2n([C@@H]2CCOC2)c1=O
InChIInChI=1S/C24H27N5O4/c1-15-5-2-3-7-19(15)20-11-16-12-25-23(26-17-6-4-9-28(13-17)24(31)32)27-21(16)29(22(20)30)18-8-10-33-14-18/h2-3,5,7,11-12,17-18H,4,6,8-10,13-14H2,1H3,(H,31,32)(H,25,26,27)/t17-,18-/m1/s1
InChIKeyMOFRUAXAADORCZ-QZTJIDSGSA-N
XLogP3.28
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid (CID 68739676) is (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is Cc1ccccc1-c1cc2cnc(N[C@@H]3CCCN(C(=O)O)C3)nc2n([C@@H]2CCOC2)c1=O.
What is the InChIKey of (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is MOFRUAXAADORCZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15-5-2-3-7-19(15)20-11-16-12-25-23(26-17-6-4-9-28(13-17)24(31)32)27-21(16)29(22(20)30)18-8-10-33-14-18/h2-3,5,7,11-12,17-18H,4,6,8-10,13-14H2,1H3,(H,31,32)(H,25,26,27)/t17-,18-/m1/s1.
What are the key properties of (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid?
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 449.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68739676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).