6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

C25H27N5O2 — CID 167197011

IUPAC6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cn2)C[C@H](C)O1
InChIInChI=1S/C25H27N5O2/c1-15-13-30(14-16(2)32-15)23-6-4-19(11-28-23)20-10-22(24(26)29-12-20)17-3-5-21-18(9-17)7-8-27-25(21)31/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H2,26,29)(H,27,31)/t15-,16?/m0/s1
InChIKeySVFVDINZKDGFKF-VYRBHSGPSA-N
MW429.52 g/mol
LogP3.29
Rot. Bonds3

About 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 167197011) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID167197011
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cn2)C[C@H](C)O1
InChIInChI=1S/C25H27N5O2/c1-15-13-30(14-16(2)32-15)23-6-4-19(11-28-23)20-10-22(24(26)29-12-20)17-3-5-21-18(9-17)7-8-27-25(21)31/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H2,26,29)(H,27,31)/t15-,16?/m0/s1
InChIKeySVFVDINZKDGFKF-VYRBHSGPSA-N
XLogP3.29
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 167197011) is 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is CC1CN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cn2)C[C@H](C)O1.
What is the InChIKey of 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is SVFVDINZKDGFKF-VYRBHSGPSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-13-30(14-16(2)32-15)23-6-4-19(11-28-23)20-10-22(24(26)29-12-20)17-3-5-21-18(9-17)7-8-27-25(21)31/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H2,26,29)(H,27,31)/t15-,16?/m0/s1.
What are the key properties of 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 429.52 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 167197011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).