2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride

C14H18Cl2N4O2 — CID 68899594

IUPAC2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride
SMILESCc1cc(-n2cc3c(n2)CCN(CC(=O)O)C3)ccn1.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-10-6-12(2-4-15-10)18-8-11-7-17(9-14(19)20)5-3-13(11)16-18;;/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,20);2*1H
InChIKeyMHQIINMPCAVPPN-UHFFFAOYSA-N
MW345.23 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride

2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride (PubChem CID 68899594) has the molecular formula C14H18Cl2N4O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride
PubChem CID68899594
Molecular FormulaC14H18Cl2N4O2
Molecular Weight345.23 g/mol
Exact Mass344.08
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride
SMILESCc1cc(-n2cc3c(n2)CCN(CC(=O)O)C3)ccn1.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-10-6-12(2-4-15-10)18-8-11-7-17(9-14(19)20)5-3-13(11)16-18;;/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,20);2*1H
InChIKeyMHQIINMPCAVPPN-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride (CID 68899594) is 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride is Cc1cc(-n2cc3c(n2)CCN(CC(=O)O)C3)ccn1.Cl.Cl.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride?
The InChIKey is MHQIINMPCAVPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.2ClH/c1-10-6-12(2-4-15-10)18-8-11-7-17(9-14(19)20)5-3-13(11)16-18;;/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride?
2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride has a molecular weight of 345.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]acetic acid;dihydrochloride is sourced from PubChem (CID 68899594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).