N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide

C26H36FN5O4 — CID 143855222

IUPACN-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCN1CC(CNC(=O)C(NC(=O)c2nn(CC3CCOCC3)c3c(F)cccc23)C(C)(C)C)CC1=O
InChIInChI=1S/C26H36FN5O4/c1-26(2,3)23(25(35)28-13-17-12-20(33)31(4)14-17)29-24(34)21-18-6-5-7-19(27)22(18)32(30-21)15-16-8-10-36-11-9-16/h5-7,16-17,23H,8-15H2,1-4H3,(H,28,35)(H,29,34)
InChIKeyDXMIKHVVSNWJGT-UHFFFAOYSA-N
MW501.60 g/mol
LogP2.34
Rot. Bonds7

About N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide

N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide (PubChem CID 143855222) has the molecular formula C26H36FN5O4 and a molecular weight of 501.60 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide
PubChem CID143855222
Molecular FormulaC26H36FN5O4
Molecular Weight501.60 g/mol
Exact Mass501.28
IUPAC NameN-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCN1CC(CNC(=O)C(NC(=O)c2nn(CC3CCOCC3)c3c(F)cccc23)C(C)(C)C)CC1=O
InChIInChI=1S/C26H36FN5O4/c1-26(2,3)23(25(35)28-13-17-12-20(33)31(4)14-17)29-24(34)21-18-6-5-7-19(27)22(18)32(30-21)15-16-8-10-36-11-9-16/h5-7,16-17,23H,8-15H2,1-4H3,(H,28,35)(H,29,34)
InChIKeyDXMIKHVVSNWJGT-UHFFFAOYSA-N
XLogP2.34
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide (CID 143855222) is N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide is CN1CC(CNC(=O)C(NC(=O)c2nn(CC3CCOCC3)c3c(F)cccc23)C(C)(C)C)CC1=O.
What is the InChIKey of N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
The InChIKey is DXMIKHVVSNWJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN5O4/c1-26(2,3)23(25(35)28-13-17-12-20(33)31(4)14-17)29-24(34)21-18-6-5-7-19(27)22(18)32(30-21)15-16-8-10-36-11-9-16/h5-7,16-17,23H,8-15H2,1-4H3,(H,28,35)(H,29,34).
What are the key properties of N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide?
N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide has a molecular weight of 501.60 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-1-oxobutan-2-yl]-7-fluoro-1-(oxan-4-ylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 143855222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).