6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C18H21N3O2 — CID 134810560

IUPAC6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CC2)C3)c1
InChIInChI=1S/C18H21N3O2/c1-23-11-13-3-2-4-14(7-13)18-15-8-17(22)21(9-12-5-6-12)10-16(15)19-20-18/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20)
InChIKeySQBDNSZMIMIHGX-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds5

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

6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810560) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810560
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CC2)C3)c1
InChIInChI=1S/C18H21N3O2/c1-23-11-13-3-2-4-14(7-13)18-15-8-17(22)21(9-12-5-6-12)10-16(15)19-20-18/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20)
InChIKeySQBDNSZMIMIHGX-UHFFFAOYSA-N
XLogP2.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810560) is 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CC2)C3)c1.
What is the InChIKey of 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is SQBDNSZMIMIHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-11-13-3-2-4-14(7-13)18-15-8-17(22)21(9-12-5-6-12)10-16(15)19-20-18/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20).
What are the key properties of 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 311.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).