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

C20H26N4O2 — CID 131639120

IUPAC[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cncc(C)c1
InChIInChI=1S/C20H26N4O2/c1-3-26-13-18-19-16(11-22-24(19)12-15-4-5-15)6-7-23(18)20(25)17-8-14(2)9-21-10-17/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeySBXMKSFURYJQJN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds6

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

[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 131639120) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID131639120
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cncc(C)c1
InChIInChI=1S/C20H26N4O2/c1-3-26-13-18-19-16(11-22-24(19)12-15-4-5-15)6-7-23(18)20(25)17-8-14(2)9-21-10-17/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeySBXMKSFURYJQJN-UHFFFAOYSA-N
XLogP2.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 134072111
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 134072107
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(2-methoxy-3-pyridinyl)methanone
CID 131639118
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-phenylmethanone
CID 97467932
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 97368015
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155850122
5-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171696735
[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 171692392
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124811735
1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 97467977
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
CID 97467937

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone (CID 131639120) is [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone is CCOCC1c2c(cnn2CC2CC2)CCN1C(=O)c1cncc(C)c1.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is SBXMKSFURYJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-26-13-18-19-16(11-22-24(19)12-15-4-5-15)6-7-23(18)20(25)17-8-14(2)9-21-10-17/h8-11,15,18H,3-7,12-13H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone?
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 131639120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).