(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H33N5O2 — CID 95869000

IUPAC(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C21H33N5O2/c1-15-18(19(23-22-15)16-5-6-16)20(28)26-10-4-8-21(14-26)9-7-17(27)25(13-21)12-11-24(2)3/h16H,4-14H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKeyMQNSIUWFFBZHQC-NRFANRHFSA-N
MW387.53 g/mol
LogP2.00
Rot. Bonds5

About (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95869000) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95869000
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C21H33N5O2/c1-15-18(19(23-22-15)16-5-6-16)20(28)26-10-4-8-21(14-26)9-7-17(27)25(13-21)12-11-24(2)3/h16H,4-14H2,1-3H3,(H,22,23)/t21-/m0/s1
InChIKeyMQNSIUWFFBZHQC-NRFANRHFSA-N
XLogP2.00
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95869000) is (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1.
What is the InChIKey of (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MQNSIUWFFBZHQC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-15-18(19(23-22-15)16-5-6-16)20(28)26-10-4-8-21(14-26)9-7-17(27)25(13-21)12-11-24(2)3/h16H,4-14H2,1-3H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.53 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95869000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).