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

C20H25N3O3 — CID 71837257

IUPAC[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)c1cccc(OC)c1)CC2
InChIInChI=1S/C20H25N3O3/c1-25-13-18-17-12-22(20(24)15-4-3-5-16(10-15)26-2)9-8-19(17)23(21-18)11-14-6-7-14/h3-5,10,14H,6-9,11-13H2,1-2H3
InChIKeyVAKBFUCPSIIUHA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds6

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

[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 71837257) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
PubChem CID71837257
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOCc1nn(CC2CC2)c2c1CN(C(=O)c1cccc(OC)c1)CC2
InChIInChI=1S/C20H25N3O3/c1-25-13-18-17-12-22(20(24)15-4-3-5-16(10-15)26-2)9-8-19(17)23(21-18)11-14-6-7-14/h3-5,10,14H,6-9,11-13H2,1-2H3
InChIKeyVAKBFUCPSIIUHA-UHFFFAOYSA-N
XLogP2.65
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (CID 71837257) is [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is COCc1nn(CC2CC2)c2c1CN(C(=O)c1cccc(OC)c1)CC2.
What is the InChIKey of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is VAKBFUCPSIIUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-13-18-17-12-22(20(24)15-4-3-5-16(10-15)26-2)9-8-19(17)23(21-18)11-14-6-7-14/h3-5,10,14H,6-9,11-13H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 71837257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).