1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one

C19H26N4O3 — CID 146115016

IUPAC1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
SMILESCn1cc2c(n1)C(O)CC1(CCN(C(=O)CCCn3cccc3)CC1)O2
InChIInChI=1S/C19H26N4O3/c1-21-14-16-18(20-21)15(24)13-19(26-16)6-11-23(12-7-19)17(25)5-4-10-22-8-2-3-9-22/h2-3,8-9,14-15,24H,4-7,10-13H2,1H3
InChIKeyYUPWQHSMFWOLPG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.88
Rot. Bonds4

About 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one

1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one (PubChem CID 146115016) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
PubChem CID146115016
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
SMILESCn1cc2c(n1)C(O)CC1(CCN(C(=O)CCCn3cccc3)CC1)O2
InChIInChI=1S/C19H26N4O3/c1-21-14-16-18(20-21)15(24)13-19(26-16)6-11-23(12-7-19)17(25)5-4-10-22-8-2-3-9-22/h2-3,8-9,14-15,24H,4-7,10-13H2,1H3
InChIKeyYUPWQHSMFWOLPG-UHFFFAOYSA-N
XLogP1.88
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115030
1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
CID 167777329
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
(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
CID 146115083
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
1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol
CID 146114426
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128999819
[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
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
CID 29154316

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one?
The IUPAC name of 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) is 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one?
The canonical SMILES for 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one is Cn1cc2c(n1)C(O)CC1(CCN(C(=O)CCCn3cccc3)CC1)O2.
What is the InChIKey of 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one?
The InChIKey is YUPWQHSMFWOLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-21-14-16-18(20-21)15(24)13-19(26-16)6-11-23(12-7-19)17(25)5-4-10-22-8-2-3-9-22/h2-3,8-9,14-15,24H,4-7,10-13H2,1H3.
What are the key properties of 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one?
1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one has a molecular weight of 358.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 146115016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).