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

C23H27N5O2 — CID 165381150

IUPAC(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(C)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O2/c1-6-18(24)17-11-25-13(3)16-10-26-20(9-15(16)17)27-19-8-7-14-21(28-19)12(2)23(4,5)30-22(14)29/h7-12,18H,6,24H2,1-5H3,(H,26,27,28)/t12-,18-/m1/s1
InChIKeyTXDUEJILEKUSDU-KZULUSFZSA-N
MW405.50 g/mol
LogP4.54
Rot. Bonds4

About (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381150) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381150
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC[C@@H](N)c1cnc(C)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12
InChIInChI=1S/C23H27N5O2/c1-6-18(24)17-11-25-13(3)16-10-26-20(9-15(16)17)27-19-8-7-14-21(28-19)12(2)23(4,5)30-22(14)29/h7-12,18H,6,24H2,1-5H3,(H,26,27,28)/t12-,18-/m1/s1
InChIKeyTXDUEJILEKUSDU-KZULUSFZSA-N
XLogP4.54
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381150) is (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is CC[C@@H](N)c1cnc(C)c2cnc(Nc3ccc4c(n3)[C@@H](C)C(C)(C)OC4=O)cc12.
What is the InChIKey of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is TXDUEJILEKUSDU-KZULUSFZSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-6-18(24)17-11-25-13(3)16-10-26-20(9-15(16)17)27-19-8-7-14-21(28-19)12(2)23(4,5)30-22(14)29/h7-12,18H,6,24H2,1-5H3,(H,26,27,28)/t12-,18-/m1/s1.
What are the key properties of (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-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-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 405.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).