(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione

C25H32N6O3 — CID 154974255

IUPAC(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione
SMILESCN(C)CCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)[C@]2(CCNC2=O)C3)cc1
InChIInChI=1S/C25H32N6O3/c1-30(2)13-14-34-20-9-7-18(8-10-20)28-24-27-16-17-15-25(11-12-26-22(25)32)23(33)31(21(17)29-24)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,26,32)(H,27,28,29)/t25-/m1/s1
InChIKeyMHMFWSLOJNFKMQ-RUZDIDTESA-N
MW464.57 g/mol
LogP2.50
Rot. Bonds7

About (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione

(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione (PubChem CID 154974255) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione.

Molecular Properties

Compound Name(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione
PubChem CID154974255
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione
SMILESCN(C)CCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)[C@]2(CCNC2=O)C3)cc1
InChIInChI=1S/C25H32N6O3/c1-30(2)13-14-34-20-9-7-18(8-10-20)28-24-27-16-17-15-25(11-12-26-22(25)32)23(33)31(21(17)29-24)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,26,32)(H,27,28,29)/t25-/m1/s1
InChIKeyMHMFWSLOJNFKMQ-RUZDIDTESA-N
XLogP2.50
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione?
The IUPAC name of (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione (CID 154974255) is (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione.
What is the SMILES notation for (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione?
The canonical SMILES for (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione is CN(C)CCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)[C@]2(CCNC2=O)C3)cc1.
What is the InChIKey of (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione?
The InChIKey is MHMFWSLOJNFKMQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N6O3/c1-30(2)13-14-34-20-9-7-18(8-10-20)28-24-27-16-17-15-25(11-12-26-22(25)32)23(33)31(21(17)29-24)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,26,32)(H,27,28,29)/t25-/m1/s1.
What are the key properties of (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione?
(6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione has a molecular weight of 464.57 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-cyclopentyl-2-[4-[2-(dimethylamino)ethoxy]anilino]spiro[5H-pyrido[2,3-d]pyrimidine-6,3'-pyrrolidine]-2',7-dione is sourced from PubChem (CID 154974255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).