1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride

C17H19ClFN5O2 — CID 174219883

IUPAC1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(C3CCNCC3)cc21
InChIInChI=1S/C17H18FN5O2.ClH/c1-22-14-9-11(10-2-5-19-6-3-10)13(18)8-12(14)16(21-22)23-7-4-15(24)20-17(23)25;/h4,7-10,19H,2-3,5-6H2,1H3,(H,20,24,25);1H
InChIKeyVMCVERFHTONASZ-UHFFFAOYSA-N
MW379.82 g/mol
LogP1.44
Rot. Bonds2

About 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride

1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride (PubChem CID 174219883) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
PubChem CID174219883
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(C3CCNCC3)cc21
InChIInChI=1S/C17H18FN5O2.ClH/c1-22-14-9-11(10-2-5-19-6-3-10)13(18)8-12(14)16(21-22)23-7-4-15(24)20-17(23)25;/h4,7-10,19H,2-3,5-6H2,1H3,(H,20,24,25);1H
InChIKeyVMCVERFHTONASZ-UHFFFAOYSA-N
XLogP1.44
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
CID 170322271
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
CID 156505740
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
CID 169265766
1-(2-piperidin-4-ylindazol-5-yl)pyrimidine-2,4-dione
CID 170350224
2-methyl-5-piperidin-4-yl-4H-1,2,4-triazol-3-one
CID 136966014
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
CID 168985367
3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
CID 59559503
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
CID 170164664

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride (CID 174219883) is 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride is Cl.Cn1nc(-n2ccc(=O)[nH]c2=O)c2cc(F)c(C3CCNCC3)cc21.
What is the InChIKey of 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride?
The InChIKey is VMCVERFHTONASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2.ClH/c1-22-14-9-11(10-2-5-19-6-3-10)13(18)8-12(14)16(21-22)23-7-4-15(24)20-17(23)25;/h4,7-10,19H,2-3,5-6H2,1H3,(H,20,24,25);1H.
What are the key properties of 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride?
1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride has a molecular weight of 379.82 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 174219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).