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

C25H30N6O2 — CID 165381089

IUPAC(8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@@H]1c2nc(Nc3cc4c(C(C)(C)N)cnc(NC5CC5)c4cn3)ccc2C(=O)OC1(C)C
InChIInChI=1S/C25H30N6O2/c1-13-21-15(23(32)33-25(13,4)5)8-9-19(31-21)30-20-10-16-17(11-27-20)22(29-14-6-7-14)28-12-18(16)24(2,3)26/h8-14H,6-7,26H2,1-5H3,(H,28,29)(H,27,30,31)/t13-/m1/s1
InChIKeyFZFLCBCYBALQBA-CYBMUJFWSA-N
MW446.56 g/mol
LogP4.59
Rot. Bonds5

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

(8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165381089) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-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-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID165381089
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name(8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESC[C@@H]1c2nc(Nc3cc4c(C(C)(C)N)cnc(NC5CC5)c4cn3)ccc2C(=O)OC1(C)C
InChIInChI=1S/C25H30N6O2/c1-13-21-15(23(32)33-25(13,4)5)8-9-19(31-21)30-20-10-16-17(11-27-20)22(29-14-6-7-14)28-12-18(16)24(2,3)26/h8-14H,6-7,26H2,1-5H3,(H,28,29)(H,27,30,31)/t13-/m1/s1
InChIKeyFZFLCBCYBALQBA-CYBMUJFWSA-N
XLogP4.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-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-(2-aminopropan-2-yl)-8-(cyclopropylamino)-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-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165381089) is (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-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-(2-aminopropan-2-yl)-8-(cyclopropylamino)-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-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is C[C@@H]1c2nc(Nc3cc4c(C(C)(C)N)cnc(NC5CC5)c4cn3)ccc2C(=O)OC1(C)C.
What is the InChIKey of (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is FZFLCBCYBALQBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-13-21-15(23(32)33-25(13,4)5)8-9-19(31-21)30-20-10-16-17(11-27-20)22(29-14-6-7-14)28-12-18(16)24(2,3)26/h8-14H,6-7,26H2,1-5H3,(H,28,29)(H,27,30,31)/t13-/m1/s1.
What are the key properties of (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?
(8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 446.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).