2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one

C25H29N5O3 — CID 165380864

IUPAC2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
SMILESCC1(C)CCc2nc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C25H29N5O3/c1-24(2)10-9-19-15(23(31)33-24)7-8-20(29-19)30-21-11-16-17(12-27-21)22(32-14-5-6-14)28-13-18(16)25(3,4)26/h7-8,11-14H,5-6,9-10,26H2,1-4H3,(H,27,29,30)
InChIKeyZVHACHVJMPECPN-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.39
Rot. Bonds5

About 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one

2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one (PubChem CID 165380864) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
PubChem CID165380864
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
SMILESCC1(C)CCc2nc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C25H29N5O3/c1-24(2)10-9-19-15(23(31)33-24)7-8-20(29-19)30-21-11-16-17(12-27-21)22(32-14-5-6-14)28-13-18(16)25(3,4)26/h7-8,11-14H,5-6,9-10,26H2,1-4H3,(H,27,29,30)
InChIKeyZVHACHVJMPECPN-UHFFFAOYSA-N
XLogP4.39
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one with MolForge

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Related Compounds

2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380904
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380909
(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380883
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 165381212
2-[[5-(1-amino-1-cyclopropylethyl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 167261640
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
CID 165117793
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
CID 165381188
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165117442
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483938
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165117583
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380848

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one (CID 165380864) is 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one is CC1(C)CCc2nc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)ccc2C(=O)O1.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one?
The InChIKey is ZVHACHVJMPECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-24(2)10-9-19-15(23(31)33-24)7-8-20(29-19)30-21-11-16-17(12-27-21)22(32-14-5-6-14)28-13-18(16)25(3,4)26/h7-8,11-14H,5-6,9-10,26H2,1-4H3,(H,27,29,30).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one has a molecular weight of 447.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).