6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H18F3N5O3 — CID 118045551

IUPAC6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28/h1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30)/t14-/m1/s1
InChIKeyWHWPZIDXSPEKNR-CQSZACIVSA-N
MW433.39 g/mol
LogP3.19
Rot. Bonds5

About 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118045551) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118045551
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28/h1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30)/t14-/m1/s1
InChIKeyWHWPZIDXSPEKNR-CQSZACIVSA-N
XLogP3.19
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195179
6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195308
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919372
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 133082086
5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 162183155
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(2H-tetrazol-5-yl)pyridine-3-carboxamide
CID 135258202
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 118195396
5-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123565795
5-(5-chloro-3-pyridinyl)-N-[4-[difluoro(iodo)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 134288411
6-[(3R)-3-methylpyrrolidin-1-yl]-5-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 121335564
5-(3-amino-1,2,4-triazin-6-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide
CID 139577567
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118045551) is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1.
What is the InChIKey of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is WHWPZIDXSPEKNR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28/h1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30)/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118045551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).