1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C16H22N6 — CID 97405016

IUPAC1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCn1nc(CN2CCCC2)c2c1CN(c1cnccn1)CC2
InChIInChI=1S/C16H22N6/c1-20-15-12-22(16-10-17-5-6-18-16)9-4-13(15)14(19-20)11-21-7-2-3-8-21/h5-6,10H,2-4,7-9,11-12H2,1H3
InChIKeyNJRXBHLSHZOXAE-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.37
Rot. Bonds3

About 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97405016) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97405016
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCn1nc(CN2CCCC2)c2c1CN(c1cnccn1)CC2
InChIInChI=1S/C16H22N6/c1-20-15-12-22(16-10-17-5-6-18-16)9-4-13(15)14(19-20)11-21-7-2-3-8-21/h5-6,10H,2-4,7-9,11-12H2,1H3
InChIKeyNJRXBHLSHZOXAE-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97405016) is 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is Cn1nc(CN2CCCC2)c2c1CN(c1cnccn1)CC2.
What is the InChIKey of 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is NJRXBHLSHZOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-20-15-12-22(16-10-17-5-6-18-16)9-4-13(15)14(19-20)11-21-7-2-3-8-21/h5-6,10H,2-4,7-9,11-12H2,1H3.
What are the key properties of 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 298.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyrazin-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).