N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H24F3N5O2 — CID 69131290

IUPACN-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOC[C@H]1CCCN1c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1
InChIInChI=1S/C26H24F3N5O2/c1-36-16-21-9-4-12-33(21)24-15-23-30-11-10-22(34(23)32-24)17-5-3-8-20(14-17)31-25(35)18-6-2-7-19(13-18)26(27,28)29/h2-3,5-8,10-11,13-15,21H,4,9,12,16H2,1H3,(H,31,35)/t21-/m1/s1
InChIKeyCLWNNHIJLOVNCC-OAQYLSRUSA-N
MW495.51 g/mol
LogP5.28
Rot. Bonds6

About N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 69131290) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID69131290
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOC[C@H]1CCCN1c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1
InChIInChI=1S/C26H24F3N5O2/c1-36-16-21-9-4-12-33(21)24-15-23-30-11-10-22(34(23)32-24)17-5-3-8-20(14-17)31-25(35)18-6-2-7-19(13-18)26(27,28)29/h2-3,5-8,10-11,13-15,21H,4,9,12,16H2,1H3,(H,31,35)/t21-/m1/s1
InChIKeyCLWNNHIJLOVNCC-OAQYLSRUSA-N
XLogP5.28
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 69131290) is N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is COC[C@H]1CCCN1c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1.
What is the InChIKey of N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CLWNNHIJLOVNCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-36-16-21-9-4-12-33(21)24-15-23-30-11-10-22(34(23)32-24)17-5-3-8-20(14-17)31-25(35)18-6-2-7-19(13-18)26(27,28)29/h2-3,5-8,10-11,13-15,21H,4,9,12,16H2,1H3,(H,31,35)/t21-/m1/s1.
What are the key properties of N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 495.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69131290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).