(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

C18H24N6O3 — CID 146115019

IUPAC(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2CCC3(CC2)CC(O)c2nn(C)cc2O3)n1
InChIInChI=1S/C18H24N6O3/c1-11-8-12(21-17(19-2)20-11)16(26)24-6-4-18(5-7-24)9-13(25)15-14(27-18)10-23(3)22-15/h8,10,13,25H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyBDFDXXFWDFCAJH-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.05
Rot. Bonds2

About (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (PubChem CID 146115019) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
PubChem CID146115019
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2CCC3(CC2)CC(O)c2nn(C)cc2O3)n1
InChIInChI=1S/C18H24N6O3/c1-11-8-12(21-17(19-2)20-11)16(26)24-6-4-18(5-7-24)9-13(25)15-14(27-18)10-23(3)22-15/h8,10,13,25H,4-7,9H2,1-3H3,(H,19,20,21)
InChIKeyBDFDXXFWDFCAJH-UHFFFAOYSA-N
XLogP1.05
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115030
1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
CID 146115016
(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
CID 146115083
[3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 130371069
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 138996790
1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115080
[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109322670
azocan-1-yl-(2-hydrazinyl-6-methylpyrimidin-4-yl)methanone
CID 114220533
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109327801
7-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carbonyl)-3H-1,3-benzoxazol-2-one
CID 167798589
(2-amino-6-methylpyrimidin-4-yl)-[(3S)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124982109

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (CID 146115019) is (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is CNc1nc(C)cc(C(=O)N2CCC3(CC2)CC(O)c2nn(C)cc2O3)n1.
What is the InChIKey of (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The InChIKey is BDFDXXFWDFCAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11-8-12(21-17(19-2)20-11)16(26)24-6-4-18(5-7-24)9-13(25)15-14(27-18)10-23(3)22-15/h8,10,13,25H,4-7,9H2,1-3H3,(H,19,20,21).
What are the key properties of (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 146115019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).