4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C23H35N5O3 — CID 92595668

IUPAC4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C23H35N5O3/c1-16-21(28-12-5-8-19(28)24-22(16)30)17-7-4-10-27(14-17)23(31)18-13-20(29)26(15-18)11-6-9-25(2)3/h17-18H,4-15H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXJLSXTVVZCPCA-QZTJIDSGSA-N
MW429.57 g/mol
LogP1.00
Rot. Bonds6

About 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92595668) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92595668
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C23H35N5O3/c1-16-21(28-12-5-8-19(28)24-22(16)30)17-7-4-10-27(14-17)23(31)18-13-20(29)26(15-18)11-6-9-25(2)3/h17-18H,4-15H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXJLSXTVVZCPCA-QZTJIDSGSA-N
XLogP1.00
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92595668) is 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1c([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CCCN(C)C)C3)C2)n2c(nc1=O)CCC2.
What is the InChIKey of 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is ZXJLSXTVVZCPCA-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-16-21(28-12-5-8-19(28)24-22(16)30)17-7-4-10-27(14-17)23(31)18-13-20(29)26(15-18)11-6-9-25(2)3/h17-18H,4-15H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 429.57 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92595668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).