(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C23H20F3N7O2 — CID 163382890

IUPAC(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cnc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)c3cnn(C)c3)cc21
InChIInChI=1S/C23H20F3N7O2/c1-12-20-17(11-35-12)16-5-18(29-8-19(16)31-21(20)27)22(34)33(15-7-30-32(2)10-15)9-14-4-3-13(6-28-14)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)/t12-/m1/s1
InChIKeyJUMRBCWWASVWEY-GFCCVEGCSA-N
MW483.45 g/mol
LogP3.80
Rot. Bonds4

About (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 163382890) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID163382890
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC Name(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1cnc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)c3cnn(C)c3)cc21
InChIInChI=1S/C23H20F3N7O2/c1-12-20-17(11-35-12)16-5-18(29-8-19(16)31-21(20)27)22(34)33(15-7-30-32(2)10-15)9-14-4-3-13(6-28-14)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)/t12-/m1/s1
InChIKeyJUMRBCWWASVWEY-GFCCVEGCSA-N
XLogP3.80
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide with MolForge

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Related Compounds

4-amino-N-tert-butyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382719
4-amino-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
CID 163383657
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
(3S)-4-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382633
(3R)-4-amino-N-cyclopropyl-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 169102300
4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163383465
4-amino-N-(3-hydroxy-2-methylpropyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383458
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679
(3S)-4-amino-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383200
(3R)-4-amino-3-methyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175745662
(3R)-4-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383364
(3S)-4-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382821

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 163382890) is (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is C[C@H]1OCc2c1c(N)nc1cnc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)c3cnn(C)c3)cc21.
What is the InChIKey of (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is JUMRBCWWASVWEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c1-12-20-17(11-35-12)16-5-18(29-8-19(16)31-21(20)27)22(34)33(15-7-30-32(2)10-15)9-14-4-3-13(6-28-14)23(24,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,27,31)/t12-/m1/s1.
What are the key properties of (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 163382890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).