5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one

C22H23N5O2 — CID 135103992

IUPAC5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C1)CC2
InChIInChI=1S/C22H23N5O2/c1-15-23-13-16-8-10-22(20(16)24-15)9-5-11-26(14-22)21(29)18-12-19(28)27(25-18)17-6-3-2-4-7-17/h2-4,6-7,12-13,25H,5,8-11,14H2,1H3
InChIKeyFMCOZXJEQNKRPV-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.38
Rot. Bonds2

About 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one

5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 135103992) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID135103992
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C1)CC2
InChIInChI=1S/C22H23N5O2/c1-15-23-13-16-8-10-22(20(16)24-15)9-5-11-26(14-22)21(29)18-12-19(28)27(25-18)17-6-3-2-4-7-17/h2-4,6-7,12-13,25H,5,8-11,14H2,1H3
InChIKeyFMCOZXJEQNKRPV-UHFFFAOYSA-N
XLogP2.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163305444
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 163311891
[2-(1-methylimidazol-2-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135115875
(6-amino-3-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163309459
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163314951
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
(4-chloro-1-methylpyrazol-3-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163314676

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one (CID 135103992) is 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one is Cc1ncc2c(n1)C1(CCCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C1)CC2.
What is the InChIKey of 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FMCOZXJEQNKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-23-13-16-8-10-22(20(16)24-15)9-5-11-26(14-22)21(29)18-12-19(28)27(25-18)17-6-3-2-4-7-17/h2-4,6-7,12-13,25H,5,8-11,14H2,1H3.
What are the key properties of 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one?
5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 389.46 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 135103992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).