N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide

C22H31FN6O4S — CID 137468703

IUPACN-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CC=C(F)C([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(C)C4)C2)nc1
InChIInChI=1S/C22H31FN6O4S/c1-21(22(9-10-28(2)13-22)34(31,32)29(3)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(33-4)12-25-18/h6-8,12,14,16H,5,9-11,13H2,1-4H3,(H2,24,27)(H,26,30)/t14?,16?,21-,22-/m1/s1
InChIKeyJSJSJTCCEZZRRK-NEJLQBHCSA-N
MW494.59 g/mol
LogP0.87
Rot. Bonds4

About N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide

N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide (PubChem CID 137468703) has the molecular formula C22H31FN6O4S and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide
PubChem CID137468703
Molecular FormulaC22H31FN6O4S
Molecular Weight494.59 g/mol
Exact Mass494.21
IUPAC NameN-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CC=C(F)C([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(C)C4)C2)nc1
InChIInChI=1S/C22H31FN6O4S/c1-21(22(9-10-28(2)13-22)34(31,32)29(3)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(33-4)12-25-18/h6-8,12,14,16H,5,9-11,13H2,1-4H3,(H2,24,27)(H,26,30)/t14?,16?,21-,22-/m1/s1
InChIKeyJSJSJTCCEZZRRK-NEJLQBHCSA-N
XLogP0.87
TPSA130.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(5S,10S)-8-amino-2-cyclopropylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137468741
N-[5-[(5R,10R)-8-amino-2-(cyclopropylmethyl)-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohexa-1,3-dien-1-yl]-5-fluoropyridine-2-carboxamide
CID 137468755
2-[3-[(5S,10R)-8-amino-2-[(3-methoxycyclobutyl)methyl]-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
CID 158897826
2-[3-[(5S,10R)-8-amino-7,10-dimethyl-2-methylsulfonyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
CID 157499676
2-[3-[(5R,10R)-8-amino-2-(benzenesulfonyl)-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
CID 157080062
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-(3-amino-2-methyl-1,1-dioxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 78078198
N-[3-(5-amino-3,6-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123782506
N-[(3Z,5E)-6-[(5R,10R)-8-amino-2-cyclopentylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-7-fluorohepta-3,5-dien-1-yn-4-yl]-5-fluoropyridine-2-carboxamide
CID 137468760
N-(2-amino-2-oxoethyl)-5-methoxypyridine-2-carboxamide
CID 70798134
tert-butyl N-[(5R,10R)-10-[2-fluoro-5-[(5-methoxypyridine-2-carbonyl)amino]phenyl]-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-8-yl]carbamate
CID 137468786
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide (CID 137468703) is N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)NC2CC=C(F)C([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(C)C4)C2)nc1.
What is the InChIKey of N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide?
The InChIKey is JSJSJTCCEZZRRK-NEJLQBHCSA-N. The full InChI is InChI=1S/C22H31FN6O4S/c1-21(22(9-10-28(2)13-22)34(31,32)29(3)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(33-4)12-25-18/h6-8,12,14,16H,5,9-11,13H2,1-4H3,(H2,24,27)(H,26,30)/t14?,16?,21-,22-/m1/s1.
What are the key properties of N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide?
N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5R,10R)-8-amino-2,7,10-trimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorocyclohex-3-en-1-yl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 137468703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).