1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

C22H29FN6O2 — CID 177160699

IUPAC1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(C4CCNCC4)CC3)c(F)c21
InChIInChI=1S/C22H29FN6O2/c1-27-20-17(21(26-27)29-13-8-18(30)25-22(29)31)3-2-16(19(20)23)14-6-11-28(12-7-14)15-4-9-24-10-5-15/h2-3,14-15,24H,4-13H2,1H3,(H,25,30,31)
InChIKeyANZXQSUHOWZRKX-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.09
Rot. Bonds3

About 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177160699) has the molecular formula C22H29FN6O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177160699
Molecular FormulaC22H29FN6O2
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC Name1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(C4CCNCC4)CC3)c(F)c21
InChIInChI=1S/C22H29FN6O2/c1-27-20-17(21(26-27)29-13-8-18(30)25-22(29)31)3-2-16(19(20)23)14-6-11-28(12-7-14)15-4-9-24-10-5-15/h2-3,14-15,24H,4-13H2,1H3,(H,25,30,31)
InChIKeyANZXQSUHOWZRKX-UHFFFAOYSA-N
XLogP2.09
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 178164135
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 177362763
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
1-[7-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexyl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 170625686
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1-methylindazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162726023
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
1-[6-[1-[dideuterio-[3-[3-fluoro-4-[[8-propan-2-yloxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]phenyl]sulfonylphenyl]methyl]piperidin-4-yl]-7-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178164159

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 177160699) is 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(C4CCNCC4)CC3)c(F)c21.
What is the InChIKey of 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ANZXQSUHOWZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O2/c1-27-20-17(21(26-27)29-13-8-18(30)25-22(29)31)3-2-16(19(20)23)14-6-11-28(12-7-14)15-4-9-24-10-5-15/h2-3,14-15,24H,4-13H2,1H3,(H,25,30,31).
What are the key properties of 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 428.51 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177160699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).