8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one

C24H37N5O2 — CID 154584623

IUPAC8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCc1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C24H37N5O2/c1-31-16-18-5-7-22(26-14-18)29-11-9-28(10-12-29)15-17-4-6-19-21(13-17)27-24(30)20-3-2-8-25-23(19)20/h5,7,14,17,19-21,23,25H,2-4,6,8-13,15-16H2,1H3,(H,27,30)
InChIKeyNSHLVFWVZFGSSQ-UHFFFAOYSA-N
MW427.59 g/mol
LogP1.63
Rot. Bonds5

About 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 154584623) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID154584623
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCc1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C24H37N5O2/c1-31-16-18-5-7-22(26-14-18)29-11-9-28(10-12-29)15-17-4-6-19-21(13-17)27-24(30)20-3-2-8-25-23(19)20/h5,7,14,17,19-21,23,25H,2-4,6,8-13,15-16H2,1H3,(H,27,30)
InChIKeyNSHLVFWVZFGSSQ-UHFFFAOYSA-N
XLogP1.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 154584591
8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 154584650
2-fluoro-4-[(2R)-2-methyl-4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzonitrile
CID 154584609
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
2-fluoro-4-[8-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]benzonitrile
CID 154584596
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169490025
5-(methylsulfanylmethyl)-2-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 96582044
6-[(1R)-3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
CID 176560387

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 154584623) is 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one is COCc1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1.
What is the InChIKey of 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is NSHLVFWVZFGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-31-16-18-5-7-22(26-14-18)29-11-9-28(10-12-29)15-17-4-6-19-21(13-17)27-24(30)20-3-2-8-25-23(19)20/h5,7,14,17,19-21,23,25H,2-4,6,8-13,15-16H2,1H3,(H,27,30).
What are the key properties of 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 427.59 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 154584623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).