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

C24H30F2N6O3S — CID 137468755

IUPACN-[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
SMILESCN1C(N)=N[C@](C)(C2CC(NC(=O)c3ccc(F)cn3)=CC=C2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O
InChIInChI=1S/C24H30F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,12,15,18H,3-4,9-11,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t18?,23-,24-/m1/s1
InChIKeyXNBKZJYIHOJDQN-VBTAZDKBSA-N
MW520.61 g/mol
LogP1.91
Rot. Bonds5

About 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

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 (PubChem CID 137468755) has the molecular formula C24H30F2N6O3S and a molecular weight of 520.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID137468755
Molecular FormulaC24H30F2N6O3S
Molecular Weight520.61 g/mol
Exact Mass520.21
IUPAC NameN-[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
SMILESCN1C(N)=N[C@](C)(C2CC(NC(=O)c3ccc(F)cn3)=CC=C2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O
InChIInChI=1S/C24H30F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,12,15,18H,3-4,9-11,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t18?,23-,24-/m1/s1
InChIKeyXNBKZJYIHOJDQN-VBTAZDKBSA-N
XLogP1.91
TPSA120.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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
2-[3-[(5S,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(pyridin-3-ylmethylsulfonyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 161459500
N-[3-(3-amino-7,7-difluoro-1,1-dihydroxy-2-methyl-5,6,8,8a-tetrahydro-1λ4,2,4-benzothiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137355689
N-[3-(3-amino-1,1-dihydroxy-2-methyl-6-oxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137356208
N-[3-[(4aS)-3-amino-2-methyl-1,1,6-trioxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 138722346
N-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118190070
N-[3-(6-acetyl-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-pyrrolo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 78077554
N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,8a-tetrahydropyrano[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123957946
2-amino-N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(N)=N[C@](C)(C2CC(NC(=O)c3ccc(F)cn3)=CC=C2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O.
What is the InChIKey of 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?
The InChIKey is XNBKZJYIHOJDQN-VBTAZDKBSA-N. The full InChI is InChI=1S/C24H30F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,12,15,18H,3-4,9-11,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t18?,23-,24-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 520.61 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137468755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).