5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C19H25N5O3 — CID 120659133

IUPAC5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H]4CNC[C@H]4C3)cc(C(C)C)nc21
InChIInChI=1S/C19H25N5O3/c1-4-24-16-15(17(25)22-19(24)27)13(5-14(21-16)10(2)3)18(26)23-8-11-6-20-7-12(11)9-23/h5,10-12,20H,4,6-9H2,1-3H3,(H,22,25,27)/t11-,12+
InChIKeyUTFYSJQJVNGSLH-TXEJJXNPSA-N
MW371.44 g/mol
LogP0.52
Rot. Bonds3

About 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 120659133) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID120659133
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H]4CNC[C@H]4C3)cc(C(C)C)nc21
InChIInChI=1S/C19H25N5O3/c1-4-24-16-15(17(25)22-19(24)27)13(5-14(21-16)10(2)3)18(26)23-8-11-6-20-7-12(11)9-23/h5,10-12,20H,4,6-9H2,1-3H3,(H,22,25,27)/t11-,12+
InChIKeyUTFYSJQJVNGSLH-TXEJJXNPSA-N
XLogP0.52
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 120659133) is 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H]4CNC[C@H]4C3)cc(C(C)C)nc21.
What is the InChIKey of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UTFYSJQJVNGSLH-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-24-16-15(17(25)22-19(24)27)13(5-14(21-16)10(2)3)18(26)23-8-11-6-20-7-12(11)9-23/h5,10-12,20H,4,6-9H2,1-3H3,(H,22,25,27)/t11-,12+.
What are the key properties of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120659133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).