N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C20H17N5O2 — CID 121411850

IUPACN-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1
InChIInChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)/i2D3
InChIKeyVRPRBQAJAQCSCW-BMSJAHLVSA-N
MW362.41 g/mol
LogP3.65
Rot. Bonds5

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

N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411850) has the molecular formula C20H17N5O2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121411850
Molecular FormulaC20H17N5O2
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC NameN-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1
InChIInChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)/i2D3
InChIKeyVRPRBQAJAQCSCW-BMSJAHLVSA-N
XLogP3.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
N-(4-(3-(5-Methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-yl)acetamide
CID 121411739
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-methylpyridin-2-amine
CID 23646991
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
CID 23647541
6-(3-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538768
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-6-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-amine
CID 118735323
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411850) is N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is [2H]C([2H])([2H])Oc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1.
What is the InChIKey of N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is VRPRBQAJAQCSCW-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)/i2D3.
What are the key properties of N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(trideuteriomethoxy)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).