N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

About N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 163704950) has the molecular formula C23H24ClFN6O3 and a molecular weight of 486.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name	N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID	163704950
Molecular Formula	C23H24ClFN6O3
Molecular Weight	486.94 g/mol
Exact Mass	486.16
IUPAC Name	N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILES	Cc1c(C(=O)C(=O)NC2(C3=CN(C)NN3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2
InChI	InChI=1S/C23H24ClFN6O3/c1-12-18(20(32)22(34)27-23(7-8-23)17-11-30(2)29-28-17)16-4-3-9-31(16)19(12)21(33)26-13-5-6-15(25)14(24)10-13/h5-6,10-11,28-29H,3-4,7-9H2,1-2H3,(H,26,33)(H,27,34)
InChIKey	KEGOZWPGYZLKKR-UHFFFAOYSA-N
XLogP	2.42
TPSA	107.50 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.94
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 163704950) is N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(C3=CN(C)NN3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is KEGOZWPGYZLKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O3/c1-12-18(20(32)22(34)27-23(7-8-23)17-11-30(2)29-28-17)16-4-3-9-31(16)19(12)21(33)26-13-5-6-15(25)14(24)10-13/h5-6,10-11,28-29H,3-4,7-9H2,1-2H3,(H,26,33)(H,27,34).

What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 486.94 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 163704950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).