(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C20H27N3O2 — CID 97367996

IUPAC(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOc1ccccc1CN1CCc2cnn(C)c2[C@H]1COCC1CC1
InChIInChI=1S/C20H27N3O2/c1-22-20-16(11-21-22)9-10-23(18(20)14-25-13-15-7-8-15)12-17-5-3-4-6-19(17)24-2/h3-6,11,15,18H,7-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyVNAPWCGGPSCPEX-GOSISDBHSA-N
MW341.46 g/mol
LogP2.95
Rot. Bonds7

About (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97367996) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97367996
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOc1ccccc1CN1CCc2cnn(C)c2[C@H]1COCC1CC1
InChIInChI=1S/C20H27N3O2/c1-22-20-16(11-21-22)9-10-23(18(20)14-25-13-15-7-8-15)12-17-5-3-4-6-19(17)24-2/h3-6,11,15,18H,7-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyVNAPWCGGPSCPEX-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

(7S)-7-(cyclopropylmethoxymethyl)-6-[(4,5-dimethylfuran-2-yl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467940
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-phenylmethanone
CID 97467932
(7S)-7-(methoxymethyl)-1-methyl-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97467842
1-[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-methylphenyl)ethanone
CID 97467937
[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-[(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-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[(7S)-7-(cyclopropylmethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 97467977
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
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
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97367996) is (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COc1ccccc1CN1CCc2cnn(C)c2[C@H]1COCC1CC1.
What is the InChIKey of (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is VNAPWCGGPSCPEX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-20-16(11-21-22)9-10-23(18(20)14-25-13-15-7-8-15)12-17-5-3-4-6-19(17)24-2/h3-6,11,15,18H,7-10,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(7S)-7-(cyclopropylmethoxymethyl)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-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)-6-[(2-methoxyphenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97367996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).