3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C23H26F2N6O2 — CID 138604857

IUPAC3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4C5CCC4CC(NC(CF)CF)C5)cc3n2)o1
InChIInChI=1S/C23H26F2N6O2/c1-13-26-12-21(33-13)19-5-2-14-11-27-22(8-20(14)29-19)30-23(32)31-17-3-4-18(31)7-15(6-17)28-16(9-24)10-25/h2,5,8,11-12,15-18,28H,3-4,6-7,9-10H2,1H3,(H,27,30,32)
InChIKeyNNLDLUZMCZRMPJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.02
Rot. Bonds6

About 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 138604857) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID138604857
Molecular FormulaC23H26F2N6O2
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)N4C5CCC4CC(NC(CF)CF)C5)cc3n2)o1
InChIInChI=1S/C23H26F2N6O2/c1-13-26-12-21(33-13)19-5-2-14-11-27-22(8-20(14)29-19)30-23(32)31-17-3-4-18(31)7-15(6-17)28-16(9-24)10-25/h2,5,8,11-12,15-18,28H,3-4,6-7,9-10H2,1H3,(H,27,30,32)
InChIKeyNNLDLUZMCZRMPJ-UHFFFAOYSA-N
XLogP4.02
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

(1R,5S)-3-(2,2-difluoroethylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 138604876
(1S,5R)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138586912
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
(5S)-3-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138605098
3-(1,3-difluoropropan-2-ylamino)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604882
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138587389
4-(1,3-difluoropropan-2-ylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138586981
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138587043
4-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138580180
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590656

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 138604857) is 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1ncc(-c2ccc3cnc(NC(=O)N4C5CCC4CC(NC(CF)CF)C5)cc3n2)o1.
What is the InChIKey of 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is NNLDLUZMCZRMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O2/c1-13-26-12-21(33-13)19-5-2-14-11-27-22(8-20(14)29-19)30-23(32)31-17-3-4-18(31)7-15(6-17)28-16(9-24)10-25/h2,5,8,11-12,15-18,28H,3-4,6-7,9-10H2,1H3,(H,27,30,32).
What are the key properties of 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 138604857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).