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

C19H23N5O — CID 56759076

IUPAC[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCCC3)ccn1)C2
InChIInChI=1S/C19H23N5O/c1-2-17-21-11-15-12-24(13-16(15)22-17)18-10-14(6-7-20-18)19(25)23-8-4-3-5-9-23/h6-7,10-11H,2-5,8-9,12-13H2,1H3
InChIKeyGZVAWEUGAOSSKO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.58
Rot. Bonds3

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

[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56759076) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56759076
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCCC3)ccn1)C2
InChIInChI=1S/C19H23N5O/c1-2-17-21-11-15-12-24(13-16(15)22-17)18-10-14(6-7-20-18)19(25)23-8-4-3-5-9-23/h6-7,10-11H,2-5,8-9,12-13H2,1H3
InChIKeyGZVAWEUGAOSSKO-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

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Related Compounds

[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56755953
[6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56720636
N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide
CID 56706015
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 56742835
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
ethyl 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 56720961

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone (CID 56759076) is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone is CCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCCC3)ccn1)C2.
What is the InChIKey of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GZVAWEUGAOSSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-17-21-11-15-12-24(13-16(15)22-17)18-10-14(6-7-20-18)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 [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-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 [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56759076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).