N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride

C20H25FN4O3 — CID 163250700

IUPACN-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride
SMILESCOc1nccc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12.F.[H][H].[H][H]
InChIInChI=1S/C20H20N4O3.FH.2H2/c1-26-20-17(15(8-9-21-20)27-12-4-5-12)14-10-22-18-13(14)6-7-16(23-18)24-19(25)11-2-3-11;;;/h6-12H,2-5H2,1H3,(H2,22,23,24,25);3*1H
InChIKeyLUYQFFAXTRWQER-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.17
Rot. Bonds6

About N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride

N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride (PubChem CID 163250700) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound NameN-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride
PubChem CID163250700
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride
SMILESCOc1nccc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12.F.[H][H].[H][H]
InChIInChI=1S/C20H20N4O3.FH.2H2/c1-26-20-17(15(8-9-21-20)27-12-4-5-12)14-10-22-18-13(14)6-7-16(23-18)24-19(25)11-2-3-11;;;/h6-12H,2-5H2,1H3,(H2,22,23,24,25);3*1H
InChIKeyLUYQFFAXTRWQER-UHFFFAOYSA-N
XLogP4.17
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,4-dimethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251909
N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251124
(1S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[2-(dimethylamino)ethoxy]cyclopropane-1-carboxamide
CID 163251664
trans-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[2-(dimethylamino)ethoxy]cyclopropane-1-carboxamide
CID 163251966
2-fluoro-N-[3-(2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 163250823
N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;N,N-dimethylmethanamine
CID 163251016
trans-(1R,2R)-N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-[2-(dimethylamino)ethoxy]cyclopropane-1-carboxamide
CID 170688447
ethanol;N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251075
2-fluoro-N-[3-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251350
cis-(1S,2S)-2-fluoro-N-[3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251817
N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251781
N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055725

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride?
The IUPAC name of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride (CID 163250700) is N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride.
What is the SMILES notation for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride?
The canonical SMILES for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride is COc1nccc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12.F.[H][H].[H][H].
What is the InChIKey of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride?
The InChIKey is LUYQFFAXTRWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3.FH.2H2/c1-26-20-17(15(8-9-21-20)27-12-4-5-12)14-10-22-18-13(14)6-7-16(23-18)24-19(25)11-2-3-11;;;/h6-12H,2-5H2,1H3,(H2,22,23,24,25);3*1H.
What are the key properties of N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride?
N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride has a molecular weight of 388.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 163250700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).