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

C19H24N4O2 — CID 118746764

IUPAC1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C19H24N4O2/c1-25-13-15-11-22(19(24)8-16-4-2-3-7-20-16)12-18-17(15)9-21-23(18)10-14-5-6-14/h2-4,7,9,14-15H,5-6,8,10-13H2,1H3
InChIKeyJOLVQKFRXZXPCK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.00
Rot. Bonds6

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

1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 118746764) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
PubChem CID118746764
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1
InChIInChI=1S/C19H24N4O2/c1-25-13-15-11-22(19(24)8-16-4-2-3-7-20-16)12-18-17(15)9-21-23(18)10-14-5-6-14/h2-4,7,9,14-15H,5-6,8,10-13H2,1H3
InChIKeyJOLVQKFRXZXPCK-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone (CID 118746764) is 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone is COCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is JOLVQKFRXZXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-13-15-11-22(19(24)8-16-4-2-3-7-20-16)12-18-17(15)9-21-23(18)10-14-5-6-14/h2-4,7,9,14-15H,5-6,8,10-13H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-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-[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118746764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).