3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C30H30N6O2 — CID 169090900

IUPAC3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4cnc5c(cnn5Cc5ccc(OC)cc5)c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C30H30N6O2/c1-3-22-14-27-28(34-30(22)37)12-21(15-31-27)18-35-10-8-23(9-11-35)24-13-25-17-33-36(29(25)32-16-24)19-20-4-6-26(38-2)7-5-20/h4-8,12-17H,3,9-11,18-19H2,1-2H3,(H,34,37)
InChIKeyBTRACQNMNPFDRP-UHFFFAOYSA-N
MW506.61 g/mol
LogP4.58
Rot. Bonds7

About 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 169090900) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID169090900
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4cnc5c(cnn5Cc5ccc(OC)cc5)c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C30H30N6O2/c1-3-22-14-27-28(34-30(22)37)12-21(15-31-27)18-35-10-8-23(9-11-35)24-13-25-17-33-36(29(25)32-16-24)19-20-4-6-26(38-2)7-5-20/h4-8,12-17H,3,9-11,18-19H2,1-2H3,(H,34,37)
InChIKeyBTRACQNMNPFDRP-UHFFFAOYSA-N
XLogP4.58
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one with MolForge

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Related Compounds

3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228402
6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 178182098
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
tert-butyl 4-[4-[[5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carbonyl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 176816699
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228462
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide
CID 172524842
3-ethyl-7-[[4-[6-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889942

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 169090900) is 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CC=C(c4cnc5c(cnn5Cc5ccc(OC)cc5)c4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is BTRACQNMNPFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-3-22-14-27-28(34-30(22)37)12-21(15-31-27)18-35-10-8-23(9-11-35)24-13-25-17-33-36(29(25)32-16-24)19-20-4-6-26(38-2)7-5-20/h4-8,12-17H,3,9-11,18-19H2,1-2H3,(H,34,37).
What are the key properties of 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 506.61 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 169090900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).