2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

C21H25N5O2 — CID 110217357

IUPAC2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1
InChIInChI=1S/C21H25N5O2/c1-15(22)20(27)25-12-7-21(28,8-13-25)14-26-11-6-18-19(26)3-2-17(24-18)16-4-9-23-10-5-16/h2-6,9-11,15,28H,7-8,12-14,22H2,1H3
InChIKeyJZDCACDWASPOPJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one

2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 110217357) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID110217357
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1
InChIInChI=1S/C21H25N5O2/c1-15(22)20(27)25-12-7-21(28,8-13-25)14-26-11-6-18-19(26)3-2-17(24-18)16-4-9-23-10-5-16/h2-6,9-11,15,28H,7-8,12-14,22H2,1H3
InChIKeyJZDCACDWASPOPJ-UHFFFAOYSA-N
XLogP1.80
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 110217357) is 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1.
What is the InChIKey of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JZDCACDWASPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(22)20(27)25-12-7-21(28,8-13-25)14-26-11-6-18-19(26)3-2-17(24-18)16-4-9-23-10-5-16/h2-6,9-11,15,28H,7-8,12-14,22H2,1H3.
What are the key properties of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one?
2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 379.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110217357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).