2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone

C24H25N7O2 — CID 90413582

IUPAC2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H25N7O2/c32-15-23(33)31-8-4-17(5-9-31)20-10-19-18(3-7-27-24(19)30-20)21-13-26-14-22(29-21)28-12-16-2-1-6-25-11-16/h1-3,6-7,10-11,13-14,17,32H,4-5,8-9,12,15H2,(H,27,30)(H,28,29)
InChIKeyDQNVXPSOBCTYIY-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.73
Rot. Bonds6

About 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone (PubChem CID 90413582) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
PubChem CID90413582
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H25N7O2/c32-15-23(33)31-8-4-17(5-9-31)20-10-19-18(3-7-27-24(19)30-20)21-13-26-14-22(29-21)28-12-16-2-1-6-25-11-16/h1-3,6-7,10-11,13-14,17,32H,4-5,8-9,12,15H2,(H,27,30)(H,28,29)
InChIKeyDQNVXPSOBCTYIY-UHFFFAOYSA-N
XLogP2.73
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone (CID 90413582) is 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone is O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cccnc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DQNVXPSOBCTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-15-23(33)31-8-4-17(5-9-31)20-10-19-18(3-7-27-24(19)30-20)21-13-26-14-22(29-21)28-12-16-2-1-6-25-11-16/h1-3,6-7,10-11,13-14,17,32H,4-5,8-9,12,15H2,(H,27,30)(H,28,29).
What are the key properties of 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[4-[6-(pyridin-3-ylmethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90413582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).