4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one

C19H25N5O — CID 178175098

IUPAC4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one
SMILESC=C1CCN(c2nn(C)c3cc(C4CCN(C)CC4)ccc23)C(=O)N1
InChIInChI=1S/C19H25N5O/c1-13-6-11-24(19(25)20-13)18-16-5-4-15(12-17(16)23(3)21-18)14-7-9-22(2)10-8-14/h4-5,12,14H,1,6-11H2,2-3H3,(H,20,25)
InChIKeySQMUVLIDWRGXLC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.82
Rot. Bonds2

About 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one

4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one (PubChem CID 178175098) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one
PubChem CID178175098
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one
SMILESC=C1CCN(c2nn(C)c3cc(C4CCN(C)CC4)ccc23)C(=O)N1
InChIInChI=1S/C19H25N5O/c1-13-6-11-24(19(25)20-13)18-16-5-4-15(12-17(16)23(3)21-18)14-7-9-22(2)10-8-14/h4-5,12,14H,1,6-11H2,2-3H3,(H,20,25)
InChIKeySQMUVLIDWRGXLC-UHFFFAOYSA-N
XLogP2.82
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
2-[7-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-4-azaspiro[2.5]octan-4-yl]acetic acid
CID 156506037
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
cyclohexanamine;1-[1-methyl-6-[1-[(3-sulfanylphenyl)methyl]piperidin-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 178004608
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 177160946
[3-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]phenyl]-[(3S)-3-fluoropiperidin-1-yl]-oxidosulfanium
CID 174271799
2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetic acid
CID 156505877
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
2-[1-[3-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]sulfinylpiperidin-4-yl]-1-methylideneguanidine
CID 170639606
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidine-1-carboxylate
CID 156506347

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one?
The IUPAC name of 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one (CID 178175098) is 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one?
The canonical SMILES for 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one is C=C1CCN(c2nn(C)c3cc(C4CCN(C)CC4)ccc23)C(=O)N1.
What is the InChIKey of 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one?
The InChIKey is SQMUVLIDWRGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-6-11-24(19(25)20-13)18-16-5-4-15(12-17(16)23(3)21-18)14-7-9-22(2)10-8-14/h4-5,12,14H,1,6-11H2,2-3H3,(H,20,25).
What are the key properties of 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one?
4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 178175098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).