[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone

C15H18N4O2 — CID 97382674

IUPAC[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCOC[C@H]1CN(C(=O)c2ccncc2)Cc2cnn(C)c21
InChIInChI=1S/C15H18N4O2/c1-18-14-12(7-17-18)8-19(9-13(14)10-21-2)15(20)11-3-5-16-6-4-11/h3-7,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyMJZPFYXIRJLLRR-CYBMUJFWSA-N
MW286.33 g/mol
LogP1.20
Rot. Bonds3

About [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone

[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone (PubChem CID 97382674) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
PubChem CID97382674
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCOC[C@H]1CN(C(=O)c2ccncc2)Cc2cnn(C)c21
InChIInChI=1S/C15H18N4O2/c1-18-14-12(7-17-18)8-19(9-13(14)10-21-2)15(20)11-3-5-16-6-4-11/h3-7,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyMJZPFYXIRJLLRR-CYBMUJFWSA-N
XLogP1.20
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 97468338
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
cyclopropyl-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131656652
furan-2-yl-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 97382666
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
CID 131648412
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97382719
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 131659554
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 97382727
1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382738
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 131658305
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97468451

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone (CID 97382674) is [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone is COC[C@H]1CN(C(=O)c2ccncc2)Cc2cnn(C)c21.
What is the InChIKey of [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The InChIKey is MJZPFYXIRJLLRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-14-12(7-17-18)8-19(9-13(14)10-21-2)15(20)11-3-5-16-6-4-11/h3-7,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone?
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97382674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).