(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H32N6O2 — CID 95872441

IUPAC(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1
InChIInChI=1S/C19H32N6O2/c1-15-11-16(20)25(21-15)12-18(27)23-8-4-6-19(13-23)7-5-17(26)24(14-19)10-9-22(2)3/h11H,4-10,12-14,20H2,1-3H3/t19-/m0/s1
InChIKeyPVQVJNYLRCKABK-IBGZPJMESA-N
MW376.51 g/mol
LogP0.57
Rot. Bonds5

About (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95872441) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95872441
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1
InChIInChI=1S/C19H32N6O2/c1-15-11-16(20)25(21-15)12-18(27)23-8-4-6-19(13-23)7-5-17(26)24(14-19)10-9-22(2)3/h11H,4-10,12-14,20H2,1-3H3/t19-/m0/s1
InChIKeyPVQVJNYLRCKABK-IBGZPJMESA-N
XLogP0.57
TPSA87.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
2-[2-(dimethylamino)ethyl]-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715455
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72906610
(6R)-8-(3,5-difluoropyridine-2-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96578486
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724925
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576
8-[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72934797
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95869000

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95872441) is (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(N)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1.
What is the InChIKey of (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PVQVJNYLRCKABK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N6O2/c1-15-11-16(20)25(21-15)12-18(27)23-8-4-6-19(13-23)7-5-17(26)24(14-19)10-9-22(2)3/h11H,4-10,12-14,20H2,1-3H3/t19-/m0/s1.
What are the key properties of (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.51 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).