N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide

C22H24ClN5O2 — CID 166846961

IUPACN-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide
SMILESCOc1cc(C(C)C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)ccn1
InChIInChI=1S/C22H24ClN5O2/c1-13(14-5-6-24-20(7-14)30-4)21(29)27-19-8-15(17(23)11-25-19)16-10-26-28-12-22(2,3)9-18(16)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,25,27,29)
InChIKeyURUMBUVTJFZOEB-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.33
Rot. Bonds5

About N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide

N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide (PubChem CID 166846961) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide
PubChem CID166846961
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide
SMILESCOc1cc(C(C)C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)ccn1
InChIInChI=1S/C22H24ClN5O2/c1-13(14-5-6-24-20(7-14)30-4)21(29)27-19-8-15(17(23)11-25-19)16-10-26-28-12-22(2,3)9-18(16)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,25,27,29)
InChIKeyURUMBUVTJFZOEB-UHFFFAOYSA-N
XLogP4.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide?
The IUPAC name of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide (CID 166846961) is N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide.
What is the SMILES notation for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide?
The canonical SMILES for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide is COc1cc(C(C)C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)ccn1.
What is the InChIKey of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide?
The InChIKey is URUMBUVTJFZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-13(14-5-6-24-20(7-14)30-4)21(29)27-19-8-15(17(23)11-25-19)16-10-26-28-12-22(2,3)9-18(16)28/h5-8,10-11,13H,9,12H2,1-4H3,(H,25,27,29).
What are the key properties of N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide?
N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide has a molecular weight of 425.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(2-methoxy-4-pyridinyl)propanamide is sourced from PubChem (CID 166846961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).