(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C25H27F2N3O4 — CID 169236779

IUPAC(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESC=C1c2c(C)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2[C@@H]2CN1[C@@H](C)CCC21OCCO1
InChIInChI=1S/C25H27F2N3O4/c1-14-6-7-25(33-8-9-34-25)21-13-29(14)16(3)22-15(2)23(31)19(12-30(21)22)24(32)28-11-17-4-5-18(26)10-20(17)27/h4-5,10,12,14,21H,3,6-9,11,13H2,1-2H3,(H,28,32)/t14-,21+/m0/s1
InChIKeyGOVSQDGPFWTEGA-LHSJRXKWSA-N
MW471.50 g/mol
LogP3.12
Rot. Bonds3

About (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 169236779) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound Name(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID169236779
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC Name(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESC=C1c2c(C)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2[C@@H]2CN1[C@@H](C)CCC21OCCO1
InChIInChI=1S/C25H27F2N3O4/c1-14-6-7-25(33-8-9-34-25)21-13-29(14)16(3)22-15(2)23(31)19(12-30(21)22)24(32)28-11-17-4-5-18(26)10-20(17)27/h4-5,10,12,14,21H,3,6-9,11,13H2,1-2H3,(H,28,32)/t14-,21+/m0/s1
InChIKeyGOVSQDGPFWTEGA-LHSJRXKWSA-N
XLogP3.12
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(8,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecan-11-yl)-6-formyl-5-hydroxy-4-oxopyridine-3-carboxamide
CID 170286907
6'-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236848
(1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314442
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-6-(hydroxymethoxy)-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 176979964
N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236937
(1'R,10'S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,3-dioxane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170314848
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-3'-(trideuteriomethoxy)spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314883
N-[(2,4-difluorophenyl)methyl]-1,8,8-trimethyl-9-methylidene-2-oxo-6,7-dihydroquinolizine-3-carboxamide
CID 123341639
(1'R,5R,10'S)-6'-butoxy-N-[(2,4-difluorophenyl)methyl]-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314555
N-[(2,4-difluorophenyl)methyl]-3',4',10-trimethyl-5,8-dioxo-6-phenylmethoxyspiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169236735
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-3'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxyspiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314725
methyl 2-[(1R,10S,13R)-4-[(2,4-difluorophenyl)methylcarbamoyl]-10-methyl-5,8-dioxo-6-phenylmethoxy-13-sulfanyl-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-dien-13-yl]acetate
CID 169314397

Frequently Asked Questions

What is the IUPAC name of (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 169236779) is (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.
What is the SMILES notation for (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is C=C1c2c(C)c(=O)c(C(=O)NCc3ccc(F)cc3F)cn2[C@@H]2CN1[C@@H](C)CCC21OCCO1.
What is the InChIKey of (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is GOVSQDGPFWTEGA-LHSJRXKWSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c1-14-6-7-25(33-8-9-34-25)21-13-29(14)16(3)22-15(2)23(31)19(12-30(21)22)24(32)28-11-17-4-5-18(26)10-20(17)27/h4-5,10,12,14,21H,3,6-9,11,13H2,1-2H3,(H,28,32)/t14-,21+/m0/s1.
What are the key properties of (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
(1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,10'S)-N-[(2,4-difluorophenyl)methyl]-6',10'-dimethyl-8'-methylidene-5'-oxospiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 169236779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).