N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide

C20H16F3N5O — CID 169306056

IUPACN-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC[C@H]2[C@@H]3C2(F)F)ccn1
InChIInChI=1S/C20H16F3N5O/c1-10(29)26-16-8-11(6-7-24-16)17-15-5-3-13-19(20(13,22)23)28(15)27-18(17)14-4-2-12(21)9-25-14/h2,4,6-9,13,19H,3,5H2,1H3,(H,24,26,29)/t13-,19+/m0/s1
InChIKeyVGUBUWWAJRYFQA-ORAYPTAESA-N
MW399.38 g/mol
LogP3.86
Rot. Bonds3

About N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide

N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide (PubChem CID 169306056) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide
PubChem CID169306056
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC[C@H]2[C@@H]3C2(F)F)ccn1
InChIInChI=1S/C20H16F3N5O/c1-10(29)26-16-8-11(6-7-24-16)17-15-5-3-13-19(20(13,22)23)28(15)27-18(17)14-4-2-12(21)9-25-14/h2,4,6-9,13,19H,3,5H2,1H3,(H,24,26,29)/t13-,19+/m0/s1
InChIKeyVGUBUWWAJRYFQA-ORAYPTAESA-N
XLogP3.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
CID 135220632
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
CID 167130311
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[2-(4-fluorophenyl)-5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 170327423
N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121417743
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide (CID 169306056) is N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccc(F)cn3)nn3c2CC[C@H]2[C@@H]3C2(F)F)ccn1.
What is the InChIKey of N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide?
The InChIKey is VGUBUWWAJRYFQA-ORAYPTAESA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-10(29)26-16-8-11(6-7-24-16)17-15-5-3-13-19(20(13,22)23)28(15)27-18(17)14-4-2-12(21)9-25-14/h2,4,6-9,13,19H,3,5H2,1H3,(H,24,26,29)/t13-,19+/m0/s1.
What are the key properties of N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide?
N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide has a molecular weight of 399.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 169306056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).