2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C25H22N6O2 — CID 135953296

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccn(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C25H22N6O2/c1-30(2)25(33)23(32)18-10-16(12-26-13-18)17-11-20-21(15-28-24(20)27-14-17)22-8-9-31(29-22)19-6-4-3-5-7-19/h3-15,23,32H,1-2H3,(H,27,28)
InChIKeyGJWZXTVKRVGEHY-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.60
Rot. Bonds5

About 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 135953296) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID135953296
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccn(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C25H22N6O2/c1-30(2)25(33)23(32)18-10-16(12-26-13-18)17-11-20-21(15-28-24(20)27-14-17)22-8-9-31(29-22)19-6-4-3-5-7-19/h3-15,23,32H,1-2H3,(H,27,28)
InChIKeyGJWZXTVKRVGEHY-UHFFFAOYSA-N
XLogP3.60
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 135953296) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccn(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is GJWZXTVKRVGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-30(2)25(33)23(32)18-10-16(12-26-13-18)17-11-20-21(15-28-24(20)27-14-17)22-8-9-31(29-22)19-6-4-3-5-7-19/h3-15,23,32H,1-2H3,(H,27,28).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 135953296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).