N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide

C24H27F2N5O4 — CID 146524688

IUPACN-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(CC1CC(F)(F)C1)C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C24H27F2N5O4/c1-31-19(4-7-27-31)21(33)29-18(10-14-12-24(25,26)13-14)20(32)28-15-2-3-16-17(11-15)30-22(34)23(16)5-8-35-9-6-23/h2-4,7,11,14,18H,5-6,8-10,12-13H2,1H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyUADZJUMWFLLLRA-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.59
Rot. Bonds6

About N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide

N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 146524688) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID146524688
Molecular FormulaC24H27F2N5O4
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC NameN-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(CC1CC(F)(F)C1)C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C24H27F2N5O4/c1-31-19(4-7-27-31)21(33)29-18(10-14-12-24(25,26)13-14)20(32)28-15-2-3-16-17(11-15)30-22(34)23(16)5-8-35-9-6-23/h2-4,7,11,14,18H,5-6,8-10,12-13H2,1H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyUADZJUMWFLLLRA-UHFFFAOYSA-N
XLogP2.59
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide (CID 146524688) is N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(CC1CC(F)(F)C1)C(=O)Nc1ccc2c(c1)NC(=O)C21CCOCC1.
What is the InChIKey of N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UADZJUMWFLLLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-31-19(4-7-27-31)21(33)29-18(10-14-12-24(25,26)13-14)20(32)28-15-2-3-16-17(11-15)30-22(34)23(16)5-8-35-9-6-23/h2-4,7,11,14,18H,5-6,8-10,12-13H2,1H3,(H,28,32)(H,29,33)(H,30,34).
What are the key properties of N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluorocyclobutyl)-1-oxo-1-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146524688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).