1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone

C15H23N3O4S — CID 97368078

IUPAC1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
SMILESCOC[C@@H]1CN(C(=O)CS(C)(=O)=O)Cc2c1cnn2CC1CC1
InChIInChI=1S/C15H23N3O4S/c1-22-9-12-7-17(15(19)10-23(2,20)21)8-14-13(12)5-16-18(14)6-11-3-4-11/h5,11-12H,3-4,6-10H2,1-2H3/t12-/m0/s1
InChIKeyQQJBLAWMVORMKG-LBPRGKRZSA-N
MW341.43 g/mol
LogP0.41
Rot. Bonds6

About 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone

1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone (PubChem CID 97368078) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
PubChem CID97368078
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
SMILESCOC[C@@H]1CN(C(=O)CS(C)(=O)=O)Cc2c1cnn2CC1CC1
InChIInChI=1S/C15H23N3O4S/c1-22-9-12-7-17(15(19)10-23(2,20)21)8-14-13(12)5-16-18(14)6-11-3-4-11/h5,11-12H,3-4,6-10H2,1-2H3/t12-/m0/s1
InChIKeyQQJBLAWMVORMKG-LBPRGKRZSA-N
XLogP0.41
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone (CID 97368078) is 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone is COC[C@@H]1CN(C(=O)CS(C)(=O)=O)Cc2c1cnn2CC1CC1.
What is the InChIKey of 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone?
The InChIKey is QQJBLAWMVORMKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-9-12-7-17(15(19)10-23(2,20)21)8-14-13(12)5-16-18(14)6-11-3-4-11/h5,11-12H,3-4,6-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone?
1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone has a molecular weight of 341.43 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 97368078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).