(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C16H27N3O2 — CID 97382547

IUPAC(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCn1cc2c(n1)[C@@H](COC)CN(CC1CCOCC1)C2
InChIInChI=1S/C16H27N3O2/c1-3-19-11-14-9-18(8-13-4-6-21-7-5-13)10-15(12-20-2)16(14)17-19/h11,13,15H,3-10,12H2,1-2H3/t15-/m1/s1
InChIKeyBUBIHSRLPNNBIV-OAHLLOKOSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds5

About (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97382547) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97382547
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCn1cc2c(n1)[C@@H](COC)CN(CC1CCOCC1)C2
InChIInChI=1S/C16H27N3O2/c1-3-19-11-14-9-18(8-13-4-6-21-7-5-13)10-15(12-20-2)16(14)17-19/h11,13,15H,3-10,12H2,1-2H3/t15-/m1/s1
InChIKeyBUBIHSRLPNNBIV-OAHLLOKOSA-N
XLogP1.88
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

2-ethyl-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663852
(7R)-2-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382520
(7S)-2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382539
(7R)-2-(cyclopentylmethyl)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382628
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382500
2-(cyclopentylmethyl)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131663369
5-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole
CID 134072132
7-(ethoxymethyl)-2-ethyl-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131655634
2-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828623
(7R)-2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97382618
2-(cyclopropylmethyl)-7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131650589
7-(methoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131660009

Frequently Asked Questions

What is the IUPAC name of (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97382547) is (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCn1cc2c(n1)[C@@H](COC)CN(CC1CCOCC1)C2.
What is the InChIKey of (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is BUBIHSRLPNNBIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-19-11-14-9-18(8-13-4-6-21-7-5-13)10-15(12-20-2)16(14)17-19/h11,13,15H,3-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 293.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-ethyl-7-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97382547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).