(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C16H26FN5O — CID 98778574

IUPAC(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyPIALDQWYQDQAQP-ZBFHGGJFSA-N
MW323.42 g/mol
LogP1.34
Rot. Bonds2

About (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 98778574) has the molecular formula C16H26FN5O and a molecular weight of 323.42 g/mol. Its IUPAC name is (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID98778574
Molecular FormulaC16H26FN5O
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1
InChIInChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyPIALDQWYQDQAQP-ZBFHGGJFSA-N
XLogP1.34
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8aR)-2-cyclohexyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537133
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118745374
N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745373
(5R)-9-methyl-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 164639357
(3-Ethyl-4-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 145315895
[(5S,10S)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 97503863
(5R,10S)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97503867
(5S,10S)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97503868
(5R,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 98778575
[(5R,10S)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 124235039
[(5R,10R)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 124235040

Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 98778574) is (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is CN(C)C(=O)N1CC[C@@H](F)[C@]2(CCN(Cc3cnn(C)c3)C2)C1.
What is the InChIKey of (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is PIALDQWYQDQAQP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H26FN5O/c1-19(2)15(23)22-6-4-14(17)16(12-22)5-7-21(11-16)10-13-8-18-20(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 98778574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).