10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

C32H34N8O5 — CID 123524897

IUPAC10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1Cc2cc3n(c2C1)CCN(c1nccc(-c2cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)n2)c1CO)C3=O
InChIInChI=1S/C32H34N8O5/c1-19-13-21-15-27-32(44)40(8-7-39(27)26(21)14-19)29-23(18-41)22(5-6-33-29)24-16-25(31(43)37(2)36-24)35-28-4-3-20(17-34-28)30(42)38-9-11-45-12-10-38/h3-6,15-17,19,41H,7-14,18H2,1-2H3,(H,34,35)
InChIKeyHFBJSWIDPBOMJP-UHFFFAOYSA-N
MW610.68 g/mol
LogP2.14
Rot. Bonds6

About 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (PubChem CID 123524897) has the molecular formula C32H34N8O5 and a molecular weight of 610.68 g/mol. Its IUPAC name is 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.

Molecular Properties

Compound Name10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
PubChem CID123524897
Molecular FormulaC32H34N8O5
Molecular Weight610.68 g/mol
Exact Mass610.27
IUPAC Name10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1Cc2cc3n(c2C1)CCN(c1nccc(-c2cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)n2)c1CO)C3=O
InChIInChI=1S/C32H34N8O5/c1-19-13-21-15-27-32(44)40(8-7-39(27)26(21)14-19)29-23(18-41)22(5-6-33-29)24-16-25(31(43)37(2)36-24)35-28-4-3-20(17-34-28)30(42)38-9-11-45-12-10-38/h3-6,15-17,19,41H,7-14,18H2,1-2H3,(H,34,35)
InChIKeyHFBJSWIDPBOMJP-UHFFFAOYSA-N
XLogP2.14
TPSA147.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.68
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one with MolForge

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Launch Full Analysis

Related Compounds

10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodec-7-en-9-one
CID 138649956
6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]phthalazin-1-one
CID 71257854
N-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-N-[2-(2,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrol-1-yl)ethyl]formamide
CID 139381249
6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
CID 78324636
10-[3-(hydroxymethyl)-4-[5-[[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
CID 138744854
(6-amino-3-pyridinyl)-[(3S,5S)-3,5-dimethylmorpholin-4-yl]methanone;4-bromo-6-chloro-2-methylpyridazin-3-one;6-chloro-4-[[5-[(3S,5S)-3,5-dimethylmorpholine-4-carbonyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one;[4-[5-[[5-[(3S,5S)-3,5-dimethylmorpholine-4-carbonyl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-3-pyridinyl]methyl acetate;sulfane
CID 159541865
10-fluoro-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)pyridazin-3-yl]-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 86684497
7-tert-butyl-3-[2-methyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1,2-dihydroquinazolin-4-one
CID 44553558
2-[4-[5-[[5-[(2S)-2-ethenyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-3-(hydroxymethyl)-2-pyridinyl]-10-fluoro-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 138650186
[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxopyridazin-3-yl]-3-pyridinyl]methyl acetate
CID 86684542
2-[4-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 71556955
10-[4-[5-[(1,5-dimethylpyrazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
CID 71558088

Frequently Asked Questions

What is the IUPAC name of 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The IUPAC name of 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (CID 123524897) is 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.
What is the SMILES notation for 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The canonical SMILES for 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is CC1Cc2cc3n(c2C1)CCN(c1nccc(-c2cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)n2)c1CO)C3=O.
What is the InChIKey of 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The InChIKey is HFBJSWIDPBOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O5/c1-19-13-21-15-27-32(44)40(8-7-39(27)26(21)14-19)29-23(18-41)22(5-6-33-29)24-16-25(31(43)37(2)36-24)35-28-4-3-20(17-34-28)30(42)38-9-11-45-12-10-38/h3-6,15-17,19,41H,7-14,18H2,1-2H3,(H,34,35).
What are the key properties of 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one has a molecular weight of 610.68 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-2-pyridinyl]-4-methyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is sourced from PubChem (CID 123524897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).