(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H31N5O — CID 97115847

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnn(C)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H31N5O/c1-21-9-10-23(13-17-11-20-22(2)12-17)15-19(21)6-5-18(25)24(8-7-19)14-16-3-4-16/h11-12,16H,3-10,13-15H2,1-2H3/t19-/m0/s1
InChIKeyACMXMUCRKYALMD-IBGZPJMESA-N
MW345.49 g/mol
LogP1.33
Rot. Bonds4

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97115847) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97115847
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnn(C)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H31N5O/c1-21-9-10-23(13-17-11-20-22(2)12-17)15-19(21)6-5-18(25)24(8-7-19)14-16-3-4-16/h11-12,16H,3-10,13-15H2,1-2H3/t19-/m0/s1
InChIKeyACMXMUCRKYALMD-IBGZPJMESA-N
XLogP1.33
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-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

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
6-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 53595794
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
9-(cyclopropylmethyl)-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70775064
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
N,N-dimethyl-2-{(1S*,5R*)-6-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 133121321
(1R*,5R*)-3-(cyclobutylcarbonyl)-6-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138474
1-(cyclobutylcarbonyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72837602

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97115847) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(Cc2cnn(C)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ACMXMUCRKYALMD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-9-10-23(13-17-11-20-22(2)12-17)15-19(21)6-5-18(25)24(8-7-19)14-16-3-4-16/h11-12,16H,3-10,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 345.49 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97115847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).