(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine

C25H30N4O2 — CID 167629092

IUPAC(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine
SMILESCOc1ncc([C@@](C)(N)C2CC2)c2cc(Cc3ccc4c(n3)[C@@H](C)[C@H](C)OC4)ncc12
InChIInChI=1S/C25H30N4O2/c1-14-15(2)31-13-16-5-8-18(29-23(14)16)9-19-10-20-21(11-27-19)24(30-4)28-12-22(20)25(3,26)17-6-7-17/h5,8,10-12,14-15,17H,6-7,9,13,26H2,1-4H3/t14-,15-,25-/m0/s1
InChIKeySKZBDECIMXJZLJ-XHQUFGICSA-N
MW418.54 g/mol
LogP4.23
Rot. Bonds5

About (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine

(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine (PubChem CID 167629092) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine
PubChem CID167629092
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine
SMILESCOc1ncc([C@@](C)(N)C2CC2)c2cc(Cc3ccc4c(n3)[C@@H](C)[C@H](C)OC4)ncc12
InChIInChI=1S/C25H30N4O2/c1-14-15(2)31-13-16-5-8-18(29-23(14)16)9-19-10-20-21(11-27-19)24(30-4)28-12-22(20)25(3,26)17-6-7-17/h5,8,10-12,14-15,17H,6-7,9,13,26H2,1-4H3/t14-,15-,25-/m0/s1
InChIKeySKZBDECIMXJZLJ-XHQUFGICSA-N
XLogP4.23
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine?
The IUPAC name of (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine (CID 167629092) is (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine?
The canonical SMILES for (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine is COc1ncc([C@@](C)(N)C2CC2)c2cc(Cc3ccc4c(n3)[C@@H](C)[C@H](C)OC4)ncc12.
What is the InChIKey of (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine?
The InChIKey is SKZBDECIMXJZLJ-XHQUFGICSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-14-15(2)31-13-16-5-8-18(29-23(14)16)9-19-10-20-21(11-27-19)24(30-4)28-12-22(20)25(3,26)17-6-7-17/h5,8,10-12,14-15,17H,6-7,9,13,26H2,1-4H3/t14-,15-,25-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine?
(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine has a molecular weight of 418.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine is sourced from PubChem (CID 167629092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).