(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

C16H20N4O3 — CID 96575416

IUPAC(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCn1nc2c(c1C(=O)N1CC[C@@]3(CC(=O)NC3=O)C1)CCCC2
InChIInChI=1S/C16H20N4O3/c1-19-13(10-4-2-3-5-11(10)18-19)14(22)20-7-6-16(9-20)8-12(21)17-15(16)23/h2-9H2,1H3,(H,17,21,23)/t16-/m1/s1
InChIKeyGXHFVCXQJSDDQI-MRXNPFEDSA-N
MW316.36 g/mol
LogP0.18
Rot. Bonds1

About (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 96575416) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID96575416
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCn1nc2c(c1C(=O)N1CC[C@@]3(CC(=O)NC3=O)C1)CCCC2
InChIInChI=1S/C16H20N4O3/c1-19-13(10-4-2-3-5-11(10)18-19)14(22)20-7-6-16(9-20)8-12(21)17-15(16)23/h2-9H2,1H3,(H,17,21,23)/t16-/m1/s1
InChIKeyGXHFVCXQJSDDQI-MRXNPFEDSA-N
XLogP0.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118788671
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118787840
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
(3R,4S)-3-hydroxy-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306381
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70775890
(4R,5S)-4-(3-methoxyphenyl)-2-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 92566013
2-methoxy-1-[4-[1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 154818159
7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70730830
(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
CID 171648915
(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613451
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70719104

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 96575416) is (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is Cn1nc2c(c1C(=O)N1CC[C@@]3(CC(=O)NC3=O)C1)CCCC2.
What is the InChIKey of (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is GXHFVCXQJSDDQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19-13(10-4-2-3-5-11(10)18-19)14(22)20-7-6-16(9-20)8-12(21)17-15(16)23/h2-9H2,1H3,(H,17,21,23)/t16-/m1/s1.
What are the key properties of (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 96575416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).