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

C25H29N5O3 — CID 165380791

IUPAC(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc2[C@@H]1C
InChIInChI=1S/C25H29N5O3/c1-5-19-13(2)22-15(24(31)33-19)8-9-20(30-22)29-21-10-16-17(11-27-21)23(32-14-6-7-14)28-12-18(16)25(3,4)26/h8-14,19H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,19-/m1/s1
InChIKeyVJAVKCJTIHEHAE-BFUOFWGJSA-N
MW447.54 g/mol
LogP4.56
Rot. Bonds6

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

(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380791) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380791
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc2[C@@H]1C
InChIInChI=1S/C25H29N5O3/c1-5-19-13(2)22-15(24(31)33-19)8-9-20(30-22)29-21-10-16-17(11-27-21)23(32-14-6-7-14)28-12-18(16)25(3,4)26/h8-14,19H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,19-/m1/s1
InChIKeyVJAVKCJTIHEHAE-BFUOFWGJSA-N
XLogP4.56
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380791) is (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC[C@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc2[C@@H]1C.
What is the InChIKey of (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is VJAVKCJTIHEHAE-BFUOFWGJSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-5-19-13(2)22-15(24(31)33-19)8-9-20(30-22)29-21-10-16-17(11-27-21)23(32-14-6-7-14)28-12-18(16)25(3,4)26/h8-14,19H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,19-/m1/s1.
What are the key properties of (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 447.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).