(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C32H34F3N7O2 — CID 146178285

IUPAC(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3ccc(CN5CCNC6(CC6)C5)c(C(F)(F)F)c3)C[C@H]4C)ccnc2[nH]1
InChIInChI=1S/C32H34F3N7O2/c1-19-15-42(17-22-12-24(14-37-28(19)22)44-27-5-8-36-29-25(27)11-20(2)39-29)30(43)40-23-4-3-21(26(13-23)32(33,34)35)16-41-10-9-38-31(18-41)6-7-31/h3-5,8,11-14,19,38H,6-7,9-10,15-18H2,1-2H3,(H,36,39)(H,40,43)/t19-/m1/s1
InChIKeyBYUAHFKIVHYDQR-LJQANCHMSA-N
MW605.67 g/mol
LogP6.17
Rot. Bonds5

About (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146178285) has the molecular formula C32H34F3N7O2 and a molecular weight of 605.67 g/mol. Its IUPAC name is (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146178285
Molecular FormulaC32H34F3N7O2
Molecular Weight605.67 g/mol
Exact Mass605.27
IUPAC Name(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3ccc(CN5CCNC6(CC6)C5)c(C(F)(F)F)c3)C[C@H]4C)ccnc2[nH]1
InChIInChI=1S/C32H34F3N7O2/c1-19-15-42(17-22-12-24(14-37-28(19)22)44-27-5-8-36-29-25(27)11-20(2)39-29)30(43)40-23-4-3-21(26(13-23)32(33,34)35)16-41-10-9-38-31(18-41)6-7-31/h3-5,8,11-14,19,38H,6-7,9-10,15-18H2,1-2H3,(H,36,39)(H,40,43)/t19-/m1/s1
InChIKeyBYUAHFKIVHYDQR-LJQANCHMSA-N
XLogP6.17
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.67
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide with MolForge

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Related Compounds

(8R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178581
1-[(8S)-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 161265199
(8S)-3-[(2-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178077
(8S)-8-ethyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178100
(8S)-8-ethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178294
(8S)-N-[4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-ethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178292
8-ethyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(oxolan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178063
(8S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178287
1-[(8S)-3-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158090965
1-[(8S)-3-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 159217748
(8S)-8-ethyl-3-[[6-(methylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178409
(8S)-3-[[6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-ethyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178411

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146178285) is (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3ccc(CN5CCNC6(CC6)C5)c(C(F)(F)F)c3)C[C@H]4C)ccnc2[nH]1.
What is the InChIKey of (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is BYUAHFKIVHYDQR-LJQANCHMSA-N. The full InChI is InChI=1S/C32H34F3N7O2/c1-19-15-42(17-22-12-24(14-37-28(19)22)44-27-5-8-36-29-25(27)11-20(2)39-29)30(43)40-23-4-3-21(26(13-23)32(33,34)35)16-41-10-9-38-31(18-41)6-7-31/h3-5,8,11-14,19,38H,6-7,9-10,15-18H2,1-2H3,(H,36,39)(H,40,43)/t19-/m1/s1.
What are the key properties of (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
(8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 605.67 g/mol, XLogP of 6.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)-3-(trifluoromethyl)phenyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146178285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).