[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C14H17ClN4O3 — CID 156563150

IUPAC[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H17ClN4O3/c15-11-10(6-16-18-12(11)20)19-2-1-9(7-19)22-13(21)17-14-3-8(4-14)5-14/h6,8-9H,1-5,7H2,(H,17,21)(H,18,20)/t8?,9-,14?/m1/s1
InChIKeyOZNUKOXIFOBNAN-ZYTOWTHASA-N
MW324.77 g/mol
LogP1.28
Rot. Bonds3

About [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 156563150) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID156563150
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H17ClN4O3/c15-11-10(6-16-18-12(11)20)19-2-1-9(7-19)22-13(21)17-14-3-8(4-14)5-14/h6,8-9H,1-5,7H2,(H,17,21)(H,18,20)/t8?,9-,14?/m1/s1
InChIKeyOZNUKOXIFOBNAN-ZYTOWTHASA-N
XLogP1.28
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 156563150) is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1.
What is the InChIKey of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is OZNUKOXIFOBNAN-ZYTOWTHASA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-11-10(6-16-18-12(11)20)19-2-1-9(7-19)22-13(21)17-14-3-8(4-14)5-14/h6,8-9H,1-5,7H2,(H,17,21)(H,18,20)/t8?,9-,14?/m1/s1.
What are the key properties of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 324.77 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 156563150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).