(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide

C25H27F2N5O2 — CID 137489711

IUPAC(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide
SMILESO=C(N[C@H]1COc2c(F)c(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@H]1C[C@H]1CN2
InChIInChI=1S/C25H27F2N5O2/c26-20-6-21(32-9-14-1-2-15(10-32)30-14)22(27)23-19(20)5-16(11-34-23)31-25(33)13-4-18-17-3-12(17)7-28-24(18)29-8-13/h4,6,8,12,14-17,30H,1-3,5,7,9-11H2,(H,28,29)(H,31,33)/t12-,14?,15?,16+,17-/m0/s1
InChIKeySRXOENVMODWMFE-MLUKBADYSA-N
MW467.52 g/mol
LogP2.56
Rot. Bonds3

About (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide

(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide (PubChem CID 137489711) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide
PubChem CID137489711
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide
SMILESO=C(N[C@H]1COc2c(F)c(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@H]1C[C@H]1CN2
InChIInChI=1S/C25H27F2N5O2/c26-20-6-21(32-9-14-1-2-15(10-32)30-14)22(27)23-19(20)5-16(11-34-23)31-25(33)13-4-18-17-3-12(17)7-28-24(18)29-8-13/h4,6,8,12,14-17,30H,1-3,5,7,9-11H2,(H,28,29)(H,31,33)/t12-,14?,15?,16+,17-/m0/s1
InChIKeySRXOENVMODWMFE-MLUKBADYSA-N
XLogP2.56
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide with MolForge

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Related Compounds

(1aS,7bR)-N-[(2R)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide
CID 167224705
N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 168959263
N-[7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 168958716
N-[2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenyl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 146349663
6-amino-N-[(3S)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 151712743
3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489561
3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 151201250
N-[(3R)-7-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;(1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-8-cyano-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide
CID 167711406
1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridin-6-amine
CID 137488546
3-amino-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167701860
3-amino-N-[(2S)-5-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-7-fluoro-6-(9-oxa-3-azabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2R)-5-fluoro-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167585198
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064

Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide?
The IUPAC name of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide (CID 137489711) is (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide is O=C(N[C@H]1COc2c(F)c(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@H]1C[C@H]1CN2.
What is the InChIKey of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide?
The InChIKey is SRXOENVMODWMFE-MLUKBADYSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c26-20-6-21(32-9-14-1-2-15(10-32)30-14)22(27)23-19(20)5-16(11-34-23)31-25(33)13-4-18-17-3-12(17)7-28-24(18)29-8-13/h4,6,8,12,14-17,30H,1-3,5,7,9-11H2,(H,28,29)(H,31,33)/t12-,14?,15?,16+,17-/m0/s1.
What are the key properties of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide?
(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 137489711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).