N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide

C25H24F3N5O — CID 126545825

IUPACN-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
SMILESO=C(NC1CCC1)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nc2)c1
InChIInChI=1S/C25H24F3N5O/c26-17-10-25(11-17,22-21(28)5-2-8-29-22)14-32-24-30-12-16(13-31-24)19-9-15(6-7-20(19)27)23(34)33-18-3-1-4-18/h2,5-9,12-13,17-18H,1,3-4,10-11,14H2,(H,33,34)(H,30,31,32)
InChIKeyOMUUTWHZORCDKB-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.58
Rot. Bonds7

About N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide

N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide (PubChem CID 126545825) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
PubChem CID126545825
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC NameN-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
SMILESO=C(NC1CCC1)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nc2)c1
InChIInChI=1S/C25H24F3N5O/c26-17-10-25(11-17,22-21(28)5-2-8-29-22)14-32-24-30-12-16(13-31-24)19-9-15(6-7-20(19)27)23(34)33-18-3-1-4-18/h2,5-9,12-13,17-18H,1,3-4,10-11,14H2,(H,33,34)(H,30,31,32)
InChIKeyOMUUTWHZORCDKB-UHFFFAOYSA-N
XLogP4.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 71268097
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
methyl 4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzoate
CID 70974953
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
CID 71469152
4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 70975080
4-fluoro-N-[1-[(6-piperidin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 90076936
5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The IUPAC name of N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide (CID 126545825) is N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide is O=C(NC1CCC1)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)nc2)c1.
What is the InChIKey of N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The InChIKey is OMUUTWHZORCDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c26-17-10-25(11-17,22-21(28)5-2-8-29-22)14-32-24-30-12-16(13-31-24)19-9-15(6-7-20(19)27)23(34)33-18-3-1-4-18/h2,5-9,12-13,17-18H,1,3-4,10-11,14H2,(H,33,34)(H,30,31,32).
What are the key properties of N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide has a molecular weight of 467.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 126545825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).