2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

C23H32N4O3 — CID 167287095

IUPAC2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN([C@H]5COC(C)C5)CC4)c2nc1OC)CCC3
InChIInChI=1S/C23H32N4O3/c1-14-11-16(13-30-14)27-9-7-15(8-10-27)24-21-17-5-4-6-18(17)25-19-12-20(28-2)23(29-3)26-22(19)21/h12,14-16H,4-11,13H2,1-3H3,(H,24,25)/t14?,16-/m1/s1
InChIKeyIXUVCZATKQPRJN-BZSJEYESSA-N
MW412.53 g/mol
LogP3.19
Rot. Bonds5

About 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (PubChem CID 167287095) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
PubChem CID167287095
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN([C@H]5COC(C)C5)CC4)c2nc1OC)CCC3
InChIInChI=1S/C23H32N4O3/c1-14-11-16(13-30-14)27-9-7-15(8-10-27)24-21-17-5-4-6-18(17)25-19-12-20(28-2)23(29-3)26-22(19)21/h12,14-16H,4-11,13H2,1-3H3,(H,24,25)/t14?,16-/m1/s1
InChIKeyIXUVCZATKQPRJN-BZSJEYESSA-N
XLogP3.19
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The IUPAC name of 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (CID 167287095) is 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.
What is the SMILES notation for 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The canonical SMILES for 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is COc1cc2nc3c(c(NC4CCN([C@H]5COC(C)C5)CC4)c2nc1OC)CCC3.
What is the InChIKey of 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The InChIKey is IXUVCZATKQPRJN-BZSJEYESSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-14-11-16(13-30-14)27-9-7-15(8-10-27)24-21-17-5-4-6-18(17)25-19-12-20(28-2)23(29-3)26-22(19)21/h12,14-16H,4-11,13H2,1-3H3,(H,24,25)/t14?,16-/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine has a molecular weight of 412.53 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is sourced from PubChem (CID 167287095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).