(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C19H25N5O3 — CID 164696833

IUPAC(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H25N5O3/c1-11-9-13(15-12(2)22-23(3)16(15)21-11)17(26)24-8-5-14(25)19(10-24)6-4-7-20-18(19)27/h9,14,25H,4-8,10H2,1-3H3,(H,20,27)/t14-,19-/m1/s1
InChIKeyRKBZVJREQXMERN-AUUYWEPGSA-N
MW371.44 g/mol
LogP0.69
Rot. Bonds1

About (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164696833) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164696833
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H25N5O3/c1-11-9-13(15-12(2)22-23(3)16(15)21-11)17(26)24-8-5-14(25)19(10-24)6-4-7-20-18(19)27/h9,14,25H,4-8,10H2,1-3H3,(H,20,27)/t14-,19-/m1/s1
InChIKeyRKBZVJREQXMERN-AUUYWEPGSA-N
XLogP0.69
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one with MolForge

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Related Compounds

(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 164690656
5-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016289
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
(3R,4R)-4-hydroxy-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 165423721
(4-cyclopentylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56811591
(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164689523

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164696833) is (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is Cc1cc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c2c(C)nn(C)c2n1.
What is the InChIKey of (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is RKBZVJREQXMERN-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-11-9-13(15-12(2)22-23(3)16(15)21-11)17(26)24-8-5-14(25)19(10-24)6-4-7-20-18(19)27/h9,14,25H,4-8,10H2,1-3H3,(H,20,27)/t14-,19-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 371.44 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164696833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).