1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone

C21H27N3O2 — CID 97467937

IUPAC1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-3-5-16(6-4-15)11-20(25)24-10-9-18-12-22-23(2)21(18)19(24)14-26-13-17-7-8-17/h3-6,12,17,19H,7-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyTUMJPLRWMVDFTO-IBGZPJMESA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds6

About 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone

1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone (PubChem CID 97467937) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
PubChem CID97467937
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15-3-5-16(6-4-15)11-20(25)24-10-9-18-12-22-23(2)21(18)19(24)14-26-13-17-7-8-17/h3-6,12,17,19H,7-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyTUMJPLRWMVDFTO-IBGZPJMESA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-phenylmethanone
CID 97467932
1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 97467977
[(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-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-(2-methylphenyl)propan-1-one
CID 97467885
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 97368015
(E)-1-[7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-thiophen-2-ylprop-2-en-1-one;2,2,2-trifluoroacetic acid
CID 155834758
[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
1-[(7R)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 97467856
(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467842
1-[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-(2-methylphenyl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155828168
(E)-1-[7-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 131645775
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368207

Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone (CID 97467937) is 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCc3cnn(C)c3[C@@H]2COCC2CC2)cc1.
What is the InChIKey of 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is TUMJPLRWMVDFTO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-3-5-16(6-4-15)11-20(25)24-10-9-18-12-22-23(2)21(18)19(24)14-26-13-17-7-8-17/h3-6,12,17,19H,7-11,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone?
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 97467937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).