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

C21H22N6O2 — CID 59824967

IUPAC2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCc1n[nH]c(C)c1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C21H22N6O2/c1-11-18(12(2)26-25-11)17-10-24-20-16(17)6-14(9-23-20)13-5-15(8-22-7-13)19(28)21(29)27(3)4/h5-10,19,28H,1-4H3,(H,23,24)(H,25,26)
InChIKeyXVOVAGXMUYUKJR-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.75
Rot. Bonds4

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

2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59824967) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59824967
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCc1n[nH]c(C)c1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C21H22N6O2/c1-11-18(12(2)26-25-11)17-10-24-20-16(17)6-14(9-23-20)13-5-15(8-22-7-13)19(28)21(29)27(3)4/h5-10,19,28H,1-4H3,(H,23,24)(H,25,26)
InChIKeyXVOVAGXMUYUKJR-UHFFFAOYSA-N
XLogP2.75
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
CID 138491301
WO2022104348, Example 118
CID 163303168
WO2022104348, Example 122
CID 163303220
WO2022104348, Example 117
CID 163303222
WO2022104348, Example 119
CID 163303115
2-(2-fluorophenyl)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 45280147
2-[5-[4-chloro-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 57537663
2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
CID 57537667
2-(4-fluorophenyl)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 58532682
2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]acetamide
CID 59824871
2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 59824905
2-[5-[3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 59824911

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59824967) is 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is Cc1n[nH]c(C)c1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is XVOVAGXMUYUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-11-18(12(2)26-25-11)17-10-24-20-16(17)6-14(9-23-20)13-5-15(8-22-7-13)19(28)21(29)27(3)4/h5-10,19,28H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 390.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59824967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).