[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C15H22N6O — CID 97404988

IUPAC[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(CN(C)C)nn(C)c3C2)n[nH]1
InChIInChI=1S/C15H22N6O/c1-10-7-12(17-16-10)15(22)21-6-5-11-13(8-19(2)3)18-20(4)14(11)9-21/h7H,5-6,8-9H2,1-4H3,(H,16,17)
InChIKeySYDFRDDJKYYRJN-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.71
Rot. Bonds3

About [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 97404988) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID97404988
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(CN(C)C)nn(C)c3C2)n[nH]1
InChIInChI=1S/C15H22N6O/c1-10-7-12(17-16-10)15(22)21-6-5-11-13(8-19(2)3)18-20(4)14(11)9-21/h7H,5-6,8-9H2,1-4H3,(H,16,17)
InChIKeySYDFRDDJKYYRJN-UHFFFAOYSA-N
XLogP0.71
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 97404988) is [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3c(CN(C)C)nn(C)c3C2)n[nH]1.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is SYDFRDDJKYYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-7-12(17-16-10)15(22)21-6-5-11-13(8-19(2)3)18-20(4)14(11)9-21/h7H,5-6,8-9H2,1-4H3,(H,16,17).
What are the key properties of [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 97404988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).