N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide

C20H23N5O3 — CID 163377508

IUPACN-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
SMILESCO[C@]1(c2cc(C)cc(-c3cn(C)c4nnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C20H23N5O3/c1-12-7-16(22-17(8-12)20(27-4)5-6-28-11-20)15-10-25(3)19-14(15)9-18(23-24-19)21-13(2)26/h7-10H,5-6,11H2,1-4H3,(H,21,23,26)/t20-/m1/s1
InChIKeyLQAJTRJAZHPQAS-HXUWFJFHSA-N
MW381.44 g/mol
LogP2.56
Rot. Bonds4

About N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide

N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide (PubChem CID 163377508) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
PubChem CID163377508
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
SMILESCO[C@]1(c2cc(C)cc(-c3cn(C)c4nnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C20H23N5O3/c1-12-7-16(22-17(8-12)20(27-4)5-6-28-11-20)15-10-25(3)19-14(15)9-18(23-24-19)21-13(2)26/h7-10H,5-6,11H2,1-4H3,(H,21,23,26)/t20-/m1/s1
InChIKeyLQAJTRJAZHPQAS-HXUWFJFHSA-N
XLogP2.56
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 151147831
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464914
3-[4-(methoxymethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-N,1-dimethylpyrrolo[2,3-c]pyridin-5-amine
CID 139504147
N-[1-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl]acetamide
CID 163261755
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464342
N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 163261736
N-[3-[4-(2-hydroxyethoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464360
N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 163261735
N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
CID 152573786
N-[3-[4-(3-hydroxybutoxy)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464646

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide?
The IUPAC name of N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide (CID 163377508) is N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide is CO[C@]1(c2cc(C)cc(-c3cn(C)c4nnc(NC(C)=O)cc34)n2)CCOC1.
What is the InChIKey of N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide?
The InChIKey is LQAJTRJAZHPQAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-7-16(22-17(8-12)20(27-4)5-6-28-11-20)15-10-25(3)19-14(15)9-18(23-24-19)21-13(2)26/h7-10H,5-6,11H2,1-4H3,(H,21,23,26)/t20-/m1/s1.
What are the key properties of N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide?
N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide is sourced from PubChem (CID 163377508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).