[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate

C15H18ClN5O3 — CID 156563402

IUPAC[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate
SMILESN#CC1CCC[C@H]1NC(=O)O[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C15H18ClN5O3/c16-13-12(7-18-20-14(13)22)21-5-4-10(8-21)24-15(23)19-11-3-1-2-9(11)6-17/h7,9-11H,1-5,8H2,(H,19,23)(H,20,22)/t9?,10-,11-/m1/s1
InChIKeyKUXDBCNUBBLHAR-FHZGLPGMSA-N
MW351.79 g/mol
LogP1.42
Rot. Bonds3

About [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate

[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate (PubChem CID 156563402) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate.

Molecular Properties

Compound Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate
PubChem CID156563402
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate
SMILESN#CC1CCC[C@H]1NC(=O)O[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1
InChIInChI=1S/C15H18ClN5O3/c16-13-12(7-18-20-14(13)22)21-5-4-10(8-21)24-15(23)19-11-3-1-2-9(11)6-17/h7,9-11H,1-5,8H2,(H,19,23)(H,20,22)/t9?,10-,11-/m1/s1
InChIKeyKUXDBCNUBBLHAR-FHZGLPGMSA-N
XLogP1.42
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-(1,1-difluoroethyl)cyclopentyl]carbamate
CID 156563079
[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamic acid
CID 156534230
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate
CID 156563066
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[3-(2-oxoethyl)cyclobutyl]carbamate
CID 160796904
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 156563150
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] carbamate;methylcyclobutane
CID 156750105
[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 162453447
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[4-(pyridin-3-ylsulfonylamino)cyclohexyl]carbamate
CID 156563255
3-[[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamoylamino]benzoic acid
CID 156534224
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878
[(3R)-1-(5-methoxy-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(4,4-difluorocyclohexyl)carbamate
CID 156563152
4-chloro-5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(oxan-2-yl)pyridazin-3-one;methyl 4-[[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylate
CID 162205547

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate?
The IUPAC name of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate (CID 156563402) is [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate.
What is the SMILES notation for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate?
The canonical SMILES for [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate is N#CC1CCC[C@H]1NC(=O)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-[(1R)-2-cyanocyclopentyl]carbamate?
The InChIKey is KUXDBCNUBBLHAR-FHZGLPGMSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c16-13-12(7-18-20-14(13)22)21-5-4-10(8-21)24-15(23)19-11-3-1-2-9(11)6-17/h7,9-11H,1-5,8H2,(H,19,23)(H,20,22)/t9?,10-,11-/m1/s1.
What are the key properties of [(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate?
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-cyanocyclopentyl]carbamate has a molecular weight of 351.79 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-[(1R)-2-cyanocyclopentyl]carbamate is sourced from PubChem (CID 156563402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).