(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

C26H30FN5O — CID 167224705

IUPAC(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
SMILESO=C(N[C@@H]1CCc2cc(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@@H]1C[C@@H]1CN2
InChIInChI=1S/C26H30FN5O/c27-24-9-20(32-12-18-3-4-19(13-32)30-18)5-14-1-2-17(8-22(14)24)31-26(33)16-7-23-21-6-15(21)10-28-25(23)29-11-16/h5,7,9,11,15,17-19,21,30H,1-4,6,8,10,12-13H2,(H,28,29)(H,31,33)/t15-,17-,18?,19?,21-/m1/s1
InChIKeySPHGVKONOMPQQU-UXFMSULHSA-N
MW447.56 g/mol
LogP2.98
Rot. Bonds3

About (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

(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 (PubChem CID 167224705) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167224705
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC Name(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
SMILESO=C(N[C@@H]1CCc2cc(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@@H]1C[C@@H]1CN2
InChIInChI=1S/C26H30FN5O/c27-24-9-20(32-12-18-3-4-19(13-32)30-18)5-14-1-2-17(8-22(14)24)31-26(33)16-7-23-21-6-15(21)10-28-25(23)29-11-16/h5,7,9,11,15,17-19,21,30H,1-4,6,8,10,12-13H2,(H,28,29)(H,31,33)/t15-,17-,18?,19?,21-/m1/s1
InChIKeySPHGVKONOMPQQU-UXFMSULHSA-N
XLogP2.98
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167598709
3-amino-N-[(2R)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151133422
7-amino-N-[(2S)-8-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137488629
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
1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridin-6-amine
CID 137488546
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
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
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
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
(7R)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 167600228

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(N[C@@H]1CCc2cc(N3CC4CCC(C3)N4)cc(F)c2C1)c1cnc2c(c1)[C@@H]1C[C@@H]1CN2.
What is the InChIKey of (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?
The InChIKey is SPHGVKONOMPQQU-UXFMSULHSA-N. The full InChI is InChI=1S/C26H30FN5O/c27-24-9-20(32-12-18-3-4-19(13-32)30-18)5-14-1-2-17(8-22(14)24)31-26(33)16-7-23-21-6-15(21)10-28-25(23)29-11-16/h5,7,9,11,15,17-19,21,30H,1-4,6,8,10,12-13H2,(H,28,29)(H,31,33)/t15-,17-,18?,19?,21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 447.56 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167224705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).