[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol

C18H26N4O3 — CID 133132545

IUPAC[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H26N4O3/c23-13-15-11-22(10-14(15)9-21-5-7-24-8-6-21)12-16-1-2-18(25-16)17-3-4-19-20-17/h1-4,14-15,23H,5-13H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyHTRHNYVTKRGYNK-GJZGRUSLSA-N
MW346.43 g/mol
LogP1.04
Rot. Bonds6

About [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol

[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 133132545) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID133132545
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H26N4O3/c23-13-15-11-22(10-14(15)9-21-5-7-24-8-6-21)12-16-1-2-18(25-16)17-3-4-19-20-17/h1-4,14-15,23H,5-13H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyHTRHNYVTKRGYNK-GJZGRUSLSA-N
XLogP1.04
TPSA77.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol (CID 133132545) is [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@@H]1CN1CCOCC1.
What is the InChIKey of [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HTRHNYVTKRGYNK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-13-15-11-22(10-14(15)9-21-5-7-24-8-6-21)12-16-1-2-18(25-16)17-3-4-19-20-17/h1-4,14-15,23H,5-13H2,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol?
[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 346.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 133132545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).