(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone

C22H24N6O — CID 163318915

IUPAC(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CCCC2(CCc3cnc(N)nc32)C1
InChIInChI=1S/C22H24N6O/c1-14-17(18(27-26-14)15-6-3-2-4-7-15)20(29)28-11-5-9-22(13-28)10-8-16-12-24-21(23)25-19(16)22/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,26,27)(H2,23,24,25)
InChIKeyBTXYPPDRBYHCIV-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.88
Rot. Bonds2

About (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 163318915) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID163318915
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CCCC2(CCc3cnc(N)nc32)C1
InChIInChI=1S/C22H24N6O/c1-14-17(18(27-26-14)15-6-3-2-4-7-15)20(29)28-11-5-9-22(13-28)10-8-16-12-24-21(23)25-19(16)22/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,26,27)(H2,23,24,25)
InChIKeyBTXYPPDRBYHCIV-UHFFFAOYSA-N
XLogP2.88
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
CID 135105462
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone
CID 163315199
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-benzofuran-2-yl)methanone
CID 163315881
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-phenyltriazol-4-yl)methanone
CID 163307854
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
CID 163318690
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-chlorothiophen-2-yl)methanone
CID 135087346
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601

Frequently Asked Questions

What is the IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone (CID 163318915) is (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone is Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCCC2(CCc3cnc(N)nc32)C1.
What is the InChIKey of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is BTXYPPDRBYHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-17(18(27-26-14)15-6-3-2-4-7-15)20(29)28-11-5-9-22(13-28)10-8-16-12-24-21(23)25-19(16)22/h2-4,6-7,12H,5,8-11,13H2,1H3,(H,26,27)(H2,23,24,25).
What are the key properties of (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone?
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 388.48 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 163318915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).