1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C19H20F2N4O2 — CID 90467008

IUPAC1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncc(F)cc1Cn1cc(C(=O)NC[C@H](C)F)c2ncc(C)cc21
InChIInChI=1S/C19H20F2N4O2/c1-11-4-16-17(22-6-11)15(18(26)23-7-12(2)20)10-25(16)9-13-5-14(21)8-24-19(13)27-3/h4-6,8,10,12H,7,9H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVWYBAGJZWVNCBR-LBPRGKRZSA-N
MW374.39 g/mol
LogP3.02
Rot. Bonds6

About 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 90467008) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID90467008
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ncc(F)cc1Cn1cc(C(=O)NC[C@H](C)F)c2ncc(C)cc21
InChIInChI=1S/C19H20F2N4O2/c1-11-4-16-17(22-6-11)15(18(26)23-7-12(2)20)10-25(16)9-13-5-14(21)8-24-19(13)27-3/h4-6,8,10,12H,7,9H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVWYBAGJZWVNCBR-LBPRGKRZSA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 90467008) is 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is COc1ncc(F)cc1Cn1cc(C(=O)NC[C@H](C)F)c2ncc(C)cc21.
What is the InChIKey of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is VWYBAGJZWVNCBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-11-4-16-17(22-6-11)15(18(26)23-7-12(2)20)10-25(16)9-13-5-14(21)8-24-19(13)27-3/h4-6,8,10,12H,7,9H2,1-3H3,(H,23,26)/t12-/m0/s1.
What are the key properties of 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 90467008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).