1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C19H24N4O2 — CID 118741091

IUPAC1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C19H24N4O2/c1-25-13-16-11-22(18(24)8-17-4-2-3-7-20-17)10-15-12-23(21-19(15)16)9-14-5-6-14/h2-4,7,12,14,16H,5-6,8-11,13H2,1H3
InChIKeyHOYIYLAXZDUSLW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.00
Rot. Bonds6

About 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118741091) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID118741091
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC3CC3)nc21
InChIInChI=1S/C19H24N4O2/c1-25-13-16-11-22(18(24)8-17-4-2-3-7-20-17)10-15-12-23(21-19(15)16)9-14-5-6-14/h2-4,7,12,14,16H,5-6,8-11,13H2,1H3
InChIKeyHOYIYLAXZDUSLW-UHFFFAOYSA-N
XLogP2.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118741091) is 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is COCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC3CC3)nc21.
What is the InChIKey of 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is HOYIYLAXZDUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-13-16-11-22(18(24)8-17-4-2-3-7-20-17)10-15-12-23(21-19(15)16)9-14-5-6-14/h2-4,7,12,14,16H,5-6,8-11,13H2,1H3.
What are the key properties of 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 340.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118741091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).