2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate

C24H27FN4O3 — CID 68866062

IUPAC2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)29-8-6-15(7-9-29)21-19-11-17(16-4-3-5-18(25)10-16)12-20(23(26)30)22(19)28-27-21/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyMTLLJJXPGNLXNR-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.44
Rot. Bonds5

About 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate

2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate (PubChem CID 68866062) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate
PubChem CID68866062
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)29-8-6-15(7-9-29)21-19-11-17(16-4-3-5-18(25)10-16)12-20(23(26)30)22(19)28-27-21/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyMTLLJJXPGNLXNR-UHFFFAOYSA-N
XLogP4.44
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-3-[1-[3-(4-piperidin-1-ylpiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-2H-indazole-7-carboxamide
CID 59022798
prop-1-en-2-yl 4-[5-(4-acetamidophenyl)-7-carbamoyl-2H-indazol-3-yl]piperidine-1-carboxylate
CID 89316397
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
CID 69475648
3-[1-[1-[(C,N-dimethylcarbonimidoyl)amino]ethenylsulfanyl]piperidin-4-yl]-5-[4-(hydroxymethyl)phenyl]-2H-indazole-7-carboxamide
CID 143161852
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
3-piperidin-4-yl-5-thiophen-3-yl-2H-indazole-7-carboxamide;hydrochloride
CID 68626860
5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole
CID 141134428
2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488
ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
CID 74246241
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate (CID 68866062) is 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccc(F)c4)cc23)CC1.
What is the InChIKey of 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate?
The InChIKey is MTLLJJXPGNLXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-14(2)13-32-24(31)29-8-6-15(7-9-29)21-19-11-17(16-4-3-5-18(25)10-16)12-20(23(26)30)22(19)28-27-21/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,26,30)(H,27,28).
What are the key properties of 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate?
2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate has a molecular weight of 438.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 68866062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).