5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C22H26N4O — CID 92571763

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2
InChIInChI=1S/C22H26N4O/c27-22(17-8-7-15-4-1-2-5-16(15)12-17)26-11-3-6-20(26)21-24-14-18-13-23-10-9-19(18)25-21/h7-8,12,14,20,23H,1-6,9-11,13H2/t20-/m0/s1
InChIKeyKNQDNGBHIALFAJ-FQEVSTJZSA-N
MW362.48 g/mol
LogP2.98
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 92571763) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID92571763
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2
InChIInChI=1S/C22H26N4O/c27-22(17-8-7-15-4-1-2-5-16(15)12-17)26-11-3-6-20(26)21-24-14-18-13-23-10-9-19(18)25-21/h7-8,12,14,20,23H,1-6,9-11,13H2/t20-/m0/s1
InChIKeyKNQDNGBHIALFAJ-FQEVSTJZSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92600499
(1,5-dimethylindol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92560246
2-cyclopentyl-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92567872
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92552434
2,2-diphenyl-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240727
(3,5-dimethyl-1-benzofuran-2-yl)-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240767
3-(4-methoxyphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110240725
3-(4-methoxyphenyl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92595620
[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92568488
2-(2-fluorophenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240733
3,4-dihydro-1H-isochromen-1-yl-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240779
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110240369

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 92571763) is 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KNQDNGBHIALFAJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(17-8-7-15-4-1-2-5-16(15)12-17)26-11-3-6-20(26)21-24-14-18-13-23-10-9-19(18)25-21/h7-8,12,14,20,23H,1-6,9-11,13H2/t20-/m0/s1.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92571763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).