[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C19H23N5O — CID 56720636

IUPAC[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1ccc(C(=O)N3CCCCC3)cn1)C2
InChIInChI=1S/C19H23N5O/c1-2-17-20-11-15-12-24(13-16(15)22-17)18-7-6-14(10-21-18)19(25)23-8-4-3-5-9-23/h6-7,10-11H,2-5,8-9,12-13H2,1H3
InChIKeyGXLXARLITIHGAK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.58
Rot. Bonds3

About [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone

[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56720636) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56720636
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1ccc(C(=O)N3CCCCC3)cn1)C2
InChIInChI=1S/C19H23N5O/c1-2-17-20-11-15-12-24(13-16(15)22-17)18-7-6-14(10-21-18)19(25)23-8-4-3-5-9-23/h6-7,10-11H,2-5,8-9,12-13H2,1H3
InChIKeyGXLXARLITIHGAK-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 56759076
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56755953
N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide
CID 56706015
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 96572522
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
[6-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133334838
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one
CID 56740493
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 120805277

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 56720636) is [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone is CCc1ncc2c(n1)CN(c1ccc(C(=O)N3CCCCC3)cn1)C2.
What is the InChIKey of [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GXLXARLITIHGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-17-20-11-15-12-24(13-16(15)22-17)18-7-6-14(10-21-18)19(25)23-8-4-3-5-9-23/h6-7,10-11H,2-5,8-9,12-13H2,1H3.
What are the key properties of [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 337.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56720636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).