N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide

C24H28FN5O3 — CID 71025754

IUPACN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3ccnnc3)CC2)c(F)c1
InChIInChI=1S/C24H28FN5O3/c1-14-4-5-15(2)30(14)22(32)17-6-7-19(20(25)12-17)16(3)28-23(33)24(9-10-24)29-21(31)18-8-11-26-27-13-18/h6-8,11-16H,4-5,9-10H2,1-3H3,(H,28,33)(H,29,31)/t14-,15+,16-/m1/s1
InChIKeyMFWZVDHRYBAYEB-OWCLPIDISA-N
MW453.52 g/mol
LogP2.77
Rot. Bonds6

About N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide

N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide (PubChem CID 71025754) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
PubChem CID71025754
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC NameN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3ccnnc3)CC2)c(F)c1
InChIInChI=1S/C24H28FN5O3/c1-14-4-5-15(2)30(14)22(32)17-6-7-19(20(25)12-17)16(3)28-23(33)24(9-10-24)29-21(31)18-8-11-26-27-13-18/h6-8,11-16H,4-5,9-10H2,1-3H3,(H,28,33)(H,29,31)/t14-,15+,16-/m1/s1
InChIKeyMFWZVDHRYBAYEB-OWCLPIDISA-N
XLogP2.77
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)benzamide
CID 71025757
5-bromo-N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 42606411
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2,3-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 42605950
N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 68729215
N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 42606882
N-[1-[[1-[3-fluoro-2-(2-hydroxypropanoyl)phenyl]piperidin-4-yl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 70889676
N-[1-[[(1R)-1-[4-[diethylamino(hydroxy)methyl]-2,5-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 143778695
4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzaldehyde
CID 87553068
1-[1-(3-chloro-4,5-difluorophenyl)ethenylamino]-N-[(1R)-1-[4-[(2S,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-6-fluoro-3-methylcyclohexa-1,5-dien-1-yl]ethyl]cyclopropane-1-carboxamide
CID 143778735
N-[1-[[(1R)-1-[2-fluoro-4-(4,5,6,7-tetrahydroindazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 56659455
methyl 3-chloro-4-[1-[[1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 68727718
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide (CID 71025754) is N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide is C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3ccnnc3)CC2)c(F)c1.
What is the InChIKey of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide?
The InChIKey is MFWZVDHRYBAYEB-OWCLPIDISA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-14-4-5-15(2)30(14)22(32)17-6-7-19(20(25)12-17)16(3)28-23(33)24(9-10-24)29-21(31)18-8-11-26-27-13-18/h6-8,11-16H,4-5,9-10H2,1-3H3,(H,28,33)(H,29,31)/t14-,15+,16-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide?
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide is sourced from PubChem (CID 71025754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).