7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H23N5O2 — CID 127252083

IUPAC7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H23N5O2/c1-25-20-17(21(28)26(2)22(25)29)4-6-19(24-20)16-8-10-27(13-16)12-14-3-5-18-15(11-14)7-9-23-18/h3-7,9,11,16,23H,8,10,12-13H2,1-2H3
InChIKeyCRKUPYLRNRKARH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.10
Rot. Bonds3

About 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 127252083) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID127252083
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H23N5O2/c1-25-20-17(21(28)26(2)22(25)29)4-6-19(24-20)16-8-10-27(13-16)12-14-3-5-18-15(11-14)7-9-23-18/h3-7,9,11,16,23H,8,10,12-13H2,1-2H3
InChIKeyCRKUPYLRNRKARH-UHFFFAOYSA-N
XLogP2.10
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
1-benzyl-3-methyl-7-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630867
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124962993
1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630868
1-(2-methoxyethyl)-3-methyl-7-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110267048
7-[(3S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92630847
1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252066
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 127252083) is 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O.
What is the InChIKey of 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CRKUPYLRNRKARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25-20-17(21(28)26(2)22(25)29)4-6-19(24-20)16-8-10-27(13-16)12-14-3-5-18-15(11-14)7-9-23-18/h3-7,9,11,16,23H,8,10,12-13H2,1-2H3.
What are the key properties of 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 127252083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).