(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide

C23H24F3N7O — CID 71548988

IUPAC(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide
SMILESCC(C)[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C23H24F3N7O/c1-13(2)20(21(27)34)33(12-23(24,25)26)17-4-15(6-28-9-17)19-10-30-22-18(19)5-14(7-29-22)16-8-31-32(3)11-16/h4-11,13,20H,12H2,1-3H3,(H2,27,34)(H,29,30)/t20-/m1/s1
InChIKeyITZAJUOPXQHXEM-HXUWFJFHSA-N
MW471.49 g/mol
LogP3.90
Rot. Bonds7

About (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide

(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide (PubChem CID 71548988) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide
PubChem CID71548988
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide
SMILESCC(C)[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C23H24F3N7O/c1-13(2)20(21(27)34)33(12-23(24,25)26)17-4-15(6-28-9-17)19-10-30-22-18(19)5-14(7-29-22)16-8-31-32(3)11-16/h4-11,13,20H,12H2,1-3H3,(H2,27,34)(H,29,30)/t20-/m1/s1
InChIKeyITZAJUOPXQHXEM-HXUWFJFHSA-N
XLogP3.90
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide with MolForge

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Related Compounds

(2R)-3-methyl-2-[[5-[5-(2-morpholin-4-ylethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide
CID 71548987
(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide
CID 71549389
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
(2R)-2-[[6-[5-[2-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazin-2-yl]-(2,2,2-trifluoroethyl)amino]propanamide
CID 123599882
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
CID 57335986
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 160994061
N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide
CID 158709193
N-[1-(3-chlorophenyl)ethyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
CID 118879838
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide?
The IUPAC name of (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide (CID 71548988) is (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide is CC(C)[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)c1.
What is the InChIKey of (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide?
The InChIKey is ITZAJUOPXQHXEM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-13(2)20(21(27)34)33(12-23(24,25)26)17-4-15(6-28-9-17)19-10-30-22-18(19)5-14(7-29-22)16-8-31-32(3)11-16/h4-11,13,20H,12H2,1-3H3,(H2,27,34)(H,29,30)/t20-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide?
(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide has a molecular weight of 471.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide is sourced from PubChem (CID 71548988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).