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

C18H21N5O — CID 56755953

IUPAC[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCC3)ccn1)C2
InChIInChI=1S/C18H21N5O/c1-2-16-20-10-14-11-23(12-15(14)21-16)17-9-13(5-6-19-17)18(24)22-7-3-4-8-22/h5-6,9-10H,2-4,7-8,11-12H2,1H3
InChIKeyXVIWJBLIURVGDH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.19
Rot. Bonds3

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

[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 56755953) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID56755953
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCC3)ccn1)C2
InChIInChI=1S/C18H21N5O/c1-2-16-20-10-14-11-23(12-15(14)21-16)17-9-13(5-6-19-17)18(24)22-7-3-4-8-22/h5-6,9-10H,2-4,7-8,11-12H2,1H3
InChIKeyXVIWJBLIURVGDH-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.19
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]-piperidin-1-ylmethanone
CID 56759076
[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
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
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
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
CID 56754940
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
CID 56743916

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 56755953) is [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone is CCc1ncc2c(n1)CN(c1cc(C(=O)N3CCCC3)ccn1)C2.
What is the InChIKey of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XVIWJBLIURVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-16-20-10-14-11-23(12-15(14)21-16)17-9-13(5-6-19-17)18(24)22-7-3-4-8-22/h5-6,9-10H,2-4,7-8,11-12H2,1H3.
What are the key properties of [2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 2.19, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56755953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).