(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C20H27N3O2 — CID 97468146

IUPAC(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(CN2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-22-10-17-11-23(9-15-5-7-19(24-2)8-6-15)12-18(20(17)21-22)14-25-13-16-3-4-16/h5-8,10,16,18H,3-4,9,11-14H2,1-2H3/t18-/m1/s1
InChIKeyIHSXBLQWSUNQLA-GOSISDBHSA-N
MW341.46 g/mol
LogP2.95
Rot. Bonds7

About (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97468146) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97468146
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(CN2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-22-10-17-11-23(9-15-5-7-19(24-2)8-6-15)12-18(20(17)21-22)14-25-13-16-3-4-16/h5-8,10,16,18H,3-4,9,11-14H2,1-2H3/t18-/m1/s1
InChIKeyIHSXBLQWSUNQLA-GOSISDBHSA-N
XLogP2.95
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(ethoxymethyl)-2-ethyl-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655634
(7R)-7-(cyclopropylmethoxymethyl)-2-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97468137
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663369
(7S)-7-(methoxymethyl)-2-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382471
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382500
(7R)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382482
(7S)-7-(ethoxymethyl)-2-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382483
(7R)-2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382618
(7S)-5-(1,3-benzodioxol-5-ylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97390592
7-(ethoxymethyl)-2-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131654634
(7R)-7-(cyclopropylmethoxymethyl)-2-ethyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382590
7-(ethoxymethyl)-5-[(4-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131651604

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97468146) is (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1ccc(CN2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cc1.
What is the InChIKey of (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is IHSXBLQWSUNQLA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-10-17-11-23(9-15-5-7-19(24-2)8-6-15)12-18(20(17)21-22)14-25-13-16-3-4-16/h5-8,10,16,18H,3-4,9,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 341.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(cyclopropylmethoxymethyl)-5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97468146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).