(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C19H27N3O3 — CID 97368018

IUPAC(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1ccco1
InChIInChI=1S/C19H27N3O3/c1-23-14-18-19-16(4-7-21(18)13-17-3-2-8-25-17)11-20-22(19)12-15-5-9-24-10-6-15/h2-3,8,11,15,18H,4-7,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyPUDOANOVJPEFGT-GOSISDBHSA-N
MW345.44 g/mol
LogP2.65
Rot. Bonds6

About (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97368018) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97368018
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1ccco1
InChIInChI=1S/C19H27N3O3/c1-23-14-18-19-16(4-7-21(18)13-17-3-2-8-25-17)11-20-22(19)12-15-5-9-24-10-6-15/h2-3,8,11,15,18H,4-7,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyPUDOANOVJPEFGT-GOSISDBHSA-N
XLogP2.65
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(methoxymethyl)-6-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131658350
6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171695888
(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97390545
5-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 134072108
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(2-methoxy-3-pyridinyl)methanone
CID 131639118
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 134072107
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
2-methoxy-1-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 131644403
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383189
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 134828426
(3R,3aS,6aR)-1-(furan-2-ylmethyl)-3-(oxan-4-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 125196271
8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618

Frequently Asked Questions

What is the IUPAC name of (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97368018) is (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1Cc1ccco1.
What is the InChIKey of (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is PUDOANOVJPEFGT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-23-14-18-19-16(4-7-21(18)13-17-3-2-8-25-17)11-20-22(19)12-15-5-9-24-10-6-15/h2-3,8,11,15,18H,4-7,9-10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 345.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97368018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).