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

C19H26ClN5O4 — CID 162453447

IUPAC[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
SMILESO=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OC1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H26ClN5O4/c20-16-15(9-21-24-18(16)27)25-8-7-13(10-25)23-19(28)29-14-5-1-11(2-6-14)17(26)22-12-3-4-12/h9,11-14H,1-8,10H2,(H,22,26)(H,23,28)(H,24,27)/t11?,13-,14?/m1/s1
InChIKeyCBBSYXGXNLOROZ-HRDQMINSSA-N
MW423.90 g/mol
LogP1.57
Rot. Bonds5

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

[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 162453447) has the molecular formula C19H26ClN5O4 and a molecular weight of 423.90 g/mol. Its IUPAC name is [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID162453447
Molecular FormulaC19H26ClN5O4
Molecular Weight423.90 g/mol
Exact Mass423.17
IUPAC Name[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
SMILESO=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OC1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H26ClN5O4/c20-16-15(9-21-24-18(16)27)25-8-7-13(10-25)23-19(28)29-14-5-1-11(2-6-14)17(26)22-12-3-4-12/h9,11-14H,1-8,10H2,(H,22,26)(H,23,28)(H,24,27)/t11?,13-,14?/m1/s1
InChIKeyCBBSYXGXNLOROZ-HRDQMINSSA-N
XLogP1.57
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamic acid
CID 156534230
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878
[(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-[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
4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-1H-pyridazin-6-one;tert-butyl N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate;4,5-dichloro-1H-pyridazin-6-one;hydrochloride
CID 158850415
1-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 156534145
[(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] N-[(1R)-2-cyanocyclopentyl]carbamate
CID 156563402
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-[(1R)-2-(1,1-difluoroethyl)cyclopentyl]carbamate
CID 156563079
1-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[3-(difluoromethoxy)phenyl]urea
CID 156534076

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate (CID 162453447) is [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate is O=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OC1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is CBBSYXGXNLOROZ-HRDQMINSSA-N. The full InChI is InChI=1S/C19H26ClN5O4/c20-16-15(9-21-24-18(16)27)25-8-7-13(10-25)23-19(28)29-14-5-1-11(2-6-14)17(26)22-12-3-4-12/h9,11-14H,1-8,10H2,(H,22,26)(H,23,28)(H,24,27)/t11?,13-,14?/m1/s1.
What are the key properties of [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate?
[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 423.90 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 162453447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).