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

C24H27N5O3 — CID 165380842

IUPAC(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESC[C@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc2[C@@H]1C
InChIInChI=1S/C24H27N5O3/c1-12-13(2)31-23(30)15-7-8-19(29-21(12)15)28-20-9-16-17(10-26-20)22(32-14-5-6-14)27-11-18(16)24(3,4)25/h7-14H,5-6,25H2,1-4H3,(H,26,28,29)/t12-,13-/m1/s1
InChIKeyZDGWMHXVBSBVLN-CHWSQXEVSA-N
MW433.51 g/mol
LogP4.17
Rot. Bonds5

About (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380842) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380842
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESC[C@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OC5CC5)c4cn3)nc2[C@@H]1C
InChIInChI=1S/C24H27N5O3/c1-12-13(2)31-23(30)15-7-8-19(29-21(12)15)28-20-9-16-17(10-26-20)22(32-14-5-6-14)27-11-18(16)24(3,4)25/h7-14H,5-6,25H2,1-4H3,(H,26,28,29)/t12-,13-/m1/s1
InChIKeyZDGWMHXVBSBVLN-CHWSQXEVSA-N
XLogP4.17
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.17
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]-7,8-dimethyl-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]-7,8-dimethyl-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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380842) is (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-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]-7,8-dimethyl-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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is C[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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is ZDGWMHXVBSBVLN-CHWSQXEVSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-12-13(2)31-23(30)15-7-8-19(29-21(12)15)28-20-9-16-17(10-26-20)22(32-14-5-6-14)27-11-18(16)24(3,4)25/h7-14H,5-6,25H2,1-4H3,(H,26,28,29)/t12-,13-/m1/s1.
What are the key properties of (7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 433.51 g/mol, XLogP of 4.17, 5 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]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).