(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

C23H27N5O3 — CID 165381085

IUPAC(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O3/c1-6-17(24)15-10-26-21(30-5)16-11-25-19(9-14(15)16)27-18-8-7-13-20(28-18)12(2)23(3,4)31-22(13)29/h7-12,17H,6,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1
InChIKeyOEWWSHRLVTUWKM-SJKOYZFVSA-N
MW421.50 g/mol
LogP4.24
Rot. Bonds5

About (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381085) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381085
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O3/c1-6-17(24)15-10-26-21(30-5)16-11-25-19(9-14(15)16)27-18-8-7-13-20(28-18)12(2)23(3,4)31-22(13)29/h7-12,17H,6,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1
InChIKeyOEWWSHRLVTUWKM-SJKOYZFVSA-N
XLogP4.24
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381085) is (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is CC[C@@H](N)c1cnc(OC)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.
What is the InChIKey of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is OEWWSHRLVTUWKM-SJKOYZFVSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-6-17(24)15-10-26-21(30-5)16-11-25-19(9-14(15)16)27-18-8-7-13-20(28-18)12(2)23(3,4)31-22(13)29/h7-12,17H,6,24H2,1-5H3,(H,25,27,28)/t12-,17-/m1/s1.
What are the key properties of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 421.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).