2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

C22H25N5O3 — CID 165381184

IUPAC2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOc1cnc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C22H25N5O3/c1-21(2)9-15-12(20(28)30-21)6-7-17(26-15)27-18-8-13-14(10-24-18)16(29-5)11-25-19(13)22(3,4)23/h6-8,10-11H,9,23H2,1-5H3,(H,24,26,27)
InChIKeyIBQNWFHJFFILGX-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.46
Rot. Bonds4

About 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381184) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381184
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCOc1cnc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12
InChIInChI=1S/C22H25N5O3/c1-21(2)9-15-12(20(28)30-21)6-7-17(26-15)27-18-8-13-14(10-24-18)16(29-5)11-25-19(13)22(3,4)23/h6-8,10-11H,9,23H2,1-5H3,(H,24,26,27)
InChIKeyIBQNWFHJFFILGX-UHFFFAOYSA-N
XLogP3.46
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381184) is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is COc1cnc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CC(C)(C)OC4=O)ncc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is IBQNWFHJFFILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-21(2)9-15-12(20(28)30-21)6-7-17(26-15)27-18-8-13-14(10-24-18)16(29-5)11-25-19(13)22(3,4)23/h6-8,10-11H,9,23H2,1-5H3,(H,24,26,27).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 407.47 g/mol, XLogP of 3.46, 4 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-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).