2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

C17H13F3N6O — CID 175893388

IUPAC2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2c[nH]c3nc(CCC(F)(F)F)ncc23)nc2ccccn12
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)5-4-11-22-8-10-9(7-23-16(10)24-11)13-14(15(21)27)26-6-2-1-3-12(26)25-13/h1-3,6-8H,4-5H2,(H2,21,27)(H,22,23,24)
InChIKeyHFOWOFOOZARDMS-UHFFFAOYSA-N
MW374.33 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 175893388) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID175893388
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2c[nH]c3nc(CCC(F)(F)F)ncc23)nc2ccccn12
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)5-4-11-22-8-10-9(7-23-16(10)24-11)13-14(15(21)27)26-6-2-1-3-12(26)25-13/h1-3,6-8H,4-5H2,(H2,21,27)(H,22,23,24)
InChIKeyHFOWOFOOZARDMS-UHFFFAOYSA-N
XLogP2.87
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

VX 509
CID 59422203
KF 17625
CID 126487
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958791
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
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Exemplary Synthetic Procedure #22
CID 163991946
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[2-(Pyridin-3-Yl)ethyl]amino}pyrazin-2-Yl)methanone
CID 53488414
Atl802
CID 24780383
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(2R,3R)-2-(4-fluorophenyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]methanone
CID 56926701
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 175893388) is 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1c(-c2c[nH]c3nc(CCC(F)(F)F)ncc23)nc2ccccn12.
What is the InChIKey of 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HFOWOFOOZARDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c18-17(19,20)5-4-11-22-8-10-9(7-23-16(10)24-11)13-14(15(21)27)26-6-2-1-3-12(26)25-13/h1-3,6-8H,4-5H2,(H2,21,27)(H,22,23,24).
What are the key properties of 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 374.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 175893388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).