2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C20H20N6O2 — CID 59824951

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCc1[nH]ncc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C20H20N6O2/c1-11-16(10-24-25-11)17-9-23-19-15(17)5-13(8-22-19)12-4-14(7-21-6-12)18(27)20(28)26(2)3/h4-10,18,27H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKKOUIBQXLAEZAG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.45
Rot. Bonds4

About 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824951) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824951
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCc1[nH]ncc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C20H20N6O2/c1-11-16(10-24-25-11)17-9-23-19-15(17)5-13(8-22-19)12-4-14(7-21-6-12)18(27)20(28)26(2)3/h4-10,18,27H,1-3H3,(H,22,23)(H,24,25)
InChIKeyKKOUIBQXLAEZAG-UHFFFAOYSA-N
XLogP2.45
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824951) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-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-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is Cc1[nH]ncc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is KKOUIBQXLAEZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11-16(10-24-25-11)17-9-23-19-15(17)5-13(8-22-19)12-4-14(7-21-6-12)18(27)20(28)26(2)3/h4-10,18,27H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).