6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

C24H26N8O2 — CID 70305403

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCCn1c(N2CCC[C@@H](N)C2)c(C#N)c2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C
InChIInChI=1S/C24H26N8O2/c1-3-31-21-20(17(12-25)22(31)30-11-5-6-15(26)13-30)29(2)24(34)32(23(21)33)14-16-8-9-18-19(28-16)7-4-10-27-18/h4,7-10,15H,3,5-6,11,13-14,26H2,1-2H3/t15-/m1/s1
InChIKeyUEMSZZMMOZDYJE-OAHLLOKOSA-N
MW458.53 g/mol
LogP1.31
Rot. Bonds4

About 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 70305403) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID70305403
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCCn1c(N2CCC[C@@H](N)C2)c(C#N)c2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C
InChIInChI=1S/C24H26N8O2/c1-3-31-21-20(17(12-25)22(31)30-11-5-6-15(26)13-30)29(2)24(34)32(23(21)33)14-16-8-9-18-19(28-16)7-4-10-27-18/h4,7-10,15H,3,5-6,11,13-14,26H2,1-2H3/t15-/m1/s1
InChIKeyUEMSZZMMOZDYJE-OAHLLOKOSA-N
XLogP1.31
TPSA127.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile with MolForge

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Related Compounds

6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 70305848
2-[[6-[(3R)-3-aminopiperidin-1-yl]-7-cyano-5-ethyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]methyl]quinoline-3-carbonitrile
CID 70305131
6-[(3R)-3-aminopiperidin-1-yl]-5-but-2-ynyl-N,N,1-trimethyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 58022952
2-[[6-[(3R)-3-aminopiperidin-1-yl]-5-but-2-ynyl-7-cyano-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]methyl]quinoline-3-carbonitrile
CID 24856019
6-[(3S)-3-aminopiperidin-1-yl]-5-but-2-ynyl-3-(isoquinolin-1-ylmethyl)-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride
CID 68961478
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-cyclopropyl-1-(1,5-naphthyridin-2-ylmethyl)purine-2,6-dione
CID 68686814
6-(3-aminopiperidin-1-yl)-1-methyl-5-(3-methylbut-2-enyl)-3-[(4-methylquinazolin-2-yl)methyl]-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 68965423
6-[(3R)-3-aminopiperidin-1-yl]-3-[(3-cyanoquinolin-2-yl)methyl]-5-ethyl-1-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 70307231
6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-[(4-methylquinazolin-2-yl)methyl]-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 70306169
6-[(3R)-3-aminopiperidin-1-yl]-5-but-2-ynyl-3-[(3-cyano-2-pyridinyl)methyl]-N,N,1-trimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 58023011
6-[(3R)-3-aminopiperidin-1-yl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 70306762
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-6-(2-methoxyethyl)-5-(1,5-naphthyridin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione
CID 23582602

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 70305403) is 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is CCn1c(N2CCC[C@@H](N)C2)c(C#N)c2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is UEMSZZMMOZDYJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-3-31-21-20(17(12-25)22(31)30-11-5-6-15(26)13-30)29(2)24(34)32(23(21)33)14-16-8-9-18-19(28-16)7-4-10-27-18/h4,7-10,15H,3,5-6,11,13-14,26H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 458.53 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 70305403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).