(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

C24H27N5O3 — CID 165380784

IUPAC(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILESCC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc21
InChIInChI=1S/C24H27N5O3/c1-5-24(4)20-14(22(30)32-24)8-9-18(29-20)28-19-10-15-16(11-26-19)21(31-13-6-7-13)27-12-17(15)23(2,3)25/h8-13H,5-7,25H2,1-4H3,(H,26,28,29)/t24-/m1/s1
InChIKeyXRSWYMSRZPYGLG-XMMPIXPASA-N
MW433.51 g/mol
LogP4.30
Rot. Bonds6

About (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one

(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (PubChem CID 165380784) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
PubChem CID165380784
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one
SMILESCC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc21
InChIInChI=1S/C24H27N5O3/c1-5-24(4)20-14(22(30)32-24)8-9-18(29-20)28-19-10-15-16(11-26-19)21(31-13-6-7-13)27-12-17(15)23(2,3)25/h8-13H,5-7,25H2,1-4H3,(H,26,28,29)/t24-/m1/s1
InChIKeyXRSWYMSRZPYGLG-XMMPIXPASA-N
XLogP4.30
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one (CID 165380784) is (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is CC[C@@]1(C)OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc21.
What is the InChIKey of (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
The InChIKey is XRSWYMSRZPYGLG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N5O3/c1-5-24(4)20-14(22(30)32-24)8-9-18(29-20)28-19-10-15-16(11-26-19)21(31-13-6-7-13)27-12-17(15)23(2,3)25/h8-13H,5-7,25H2,1-4H3,(H,26,28,29)/t24-/m1/s1.
What are the key properties of (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one?
(7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one has a molecular weight of 433.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 165380784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).