5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine

C22H20FN5 — CID 67200996

IUPAC5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
SMILESFc1cncc(CNc2ccc(Cc3c[nH]c4ncc(C5CC5)cc34)cn2)c1
InChIInChI=1S/C22H20FN5/c23-19-6-15(8-24-13-19)10-26-21-4-1-14(9-25-21)5-18-12-28-22-20(18)7-17(11-27-22)16-2-3-16/h1,4,6-9,11-13,16H,2-3,5,10H2,(H,25,26)(H,27,28)
InChIKeyAXHBXLVJPYVJDM-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.57
Rot. Bonds6

About 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine

5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 67200996) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID67200996
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC Name5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
SMILESFc1cncc(CNc2ccc(Cc3c[nH]c4ncc(C5CC5)cc34)cn2)c1
InChIInChI=1S/C22H20FN5/c23-19-6-15(8-24-13-19)10-26-21-4-1-14(9-25-21)5-18-12-28-22-20(18)7-17(11-27-22)16-2-3-16/h1,4,6-9,11-13,16H,2-3,5,10H2,(H,25,26)(H,27,28)
InChIKeyAXHBXLVJPYVJDM-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine (CID 67200996) is 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine is Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(C5CC5)cc34)cn2)c1.
What is the InChIKey of 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is AXHBXLVJPYVJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c23-19-6-15(8-24-13-19)10-26-21-4-1-14(9-25-21)5-18-12-28-22-20(18)7-17(11-27-22)16-2-3-16/h1,4,6-9,11-13,16H,2-3,5,10H2,(H,25,26)(H,27,28).
What are the key properties of 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine?
5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 373.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 67200996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).