(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide

C17H15ClF3N5O — CID 71549389

IUPAC(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide
SMILESC[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(Cl)cc23)c1
InChIInChI=1S/C17H15ClF3N5O/c1-9(15(22)27)26(8-17(19,20)21)12-2-10(4-23-6-12)14-7-25-16-13(14)3-11(18)5-24-16/h2-7,9H,8H2,1H3,(H2,22,27)(H,24,25)/t9-/m1/s1
InChIKeyCKVZRPDGHLWRMH-SECBINFHSA-N
MW397.79 g/mol
LogP3.52
Rot. Bonds5

About (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide

(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 71549389) has the molecular formula C17H15ClF3N5O and a molecular weight of 397.79 g/mol. Its IUPAC name is (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID71549389
Molecular FormulaC17H15ClF3N5O
Molecular Weight397.79 g/mol
Exact Mass397.09
IUPAC Name(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide
SMILESC[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(Cl)cc23)c1
InChIInChI=1S/C17H15ClF3N5O/c1-9(15(22)27)26(8-17(19,20)21)12-2-10(4-23-6-12)14-7-25-16-13(14)3-11(18)5-24-16/h2-7,9H,8H2,1H3,(H2,22,27)(H,24,25)/t9-/m1/s1
InChIKeyCKVZRPDGHLWRMH-SECBINFHSA-N
XLogP3.52
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide with MolForge

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Related Compounds

(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
(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-[[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
(2S)-N-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-2-(3,3,3-trifluoropropylamino)propanamide
CID 71253205
(2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-6,6,6-trifluorohexan-3-one
CID 159136178
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 71253229
(2S)-2-amino-2-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 89488207
(2S)-2-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 89488209
2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 123175727
(E)-3-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 54576261
(2S)-2-amino-3-methyl-2-[5-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)butanamide
CID 89488291
(2S)-2-[2-[acetyl(methyl)amino]ethyl-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 70826750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide (CID 71549389) is (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide is C[C@H](C(N)=O)N(CC(F)(F)F)c1cncc(-c2c[nH]c3ncc(Cl)cc23)c1.
What is the InChIKey of (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is CKVZRPDGHLWRMH-SECBINFHSA-N. The full InChI is InChI=1S/C17H15ClF3N5O/c1-9(15(22)27)26(8-17(19,20)21)12-2-10(4-23-6-12)14-7-25-16-13(14)3-11(18)5-24-16/h2-7,9H,8H2,1H3,(H2,22,27)(H,24,25)/t9-/m1/s1.
What are the key properties of (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide?
(2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 397.79 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 71549389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).