[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

C22H26N4O3 — CID 176503747

IUPAC[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESO=C([C@H]1C[C@@H](O)CN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C22H26N4O3/c27-17-12-18(23-14-17)21(28)26-9-7-22(8-10-26)19-16(6-11-29-22)13-24-20(25-19)15-4-2-1-3-5-15/h1-5,13,17-18,23,27H,6-12,14H2/t17-,18-/m1/s1
InChIKeyGEOVQCIRHILORS-QZTJIDSGSA-N
MW394.48 g/mol
LogP1.26
Rot. Bonds2

About [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (PubChem CID 176503747) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
PubChem CID176503747
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESO=C([C@H]1C[C@@H](O)CN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C22H26N4O3/c27-17-12-18(23-14-17)21(28)26-9-7-22(8-10-26)19-16(6-11-29-22)13-24-20(25-19)15-4-2-1-3-5-15/h1-5,13,17-18,23,27H,6-12,14H2/t17-,18-/m1/s1
InChIKeyGEOVQCIRHILORS-QZTJIDSGSA-N
XLogP1.26
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
CID 176504592
imidazo[1,2-a]pyridin-8-yl-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503061
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918492
3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
CID 176503659
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501187
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119882164
(3-hydroxycyclobutyl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512368
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (CID 176503747) is [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is O=C([C@H]1C[C@@H](O)CN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12.
What is the InChIKey of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The InChIKey is GEOVQCIRHILORS-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-17-12-18(23-14-17)21(28)26-9-7-22(8-10-26)19-16(6-11-29-22)13-24-20(25-19)15-4-2-1-3-5-15/h1-5,13,17-18,23,27H,6-12,14H2/t17-,18-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 176503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).