N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide

C19H21FN4O3S — CID 122623696

IUPACN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(F)nn(CC4CC4)c3c2)cn(C)c1=O
InChIInChI=1S/C19H21FN4O3S/c1-11-6-14(10-23(2)19(11)25)13-7-15(22-28(3,26)27)17-16(8-13)24(21-18(17)20)9-12-4-5-12/h6-8,10,12,22H,4-5,9H2,1-3H3
InChIKeyMIELHBUJUJCIJO-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide

N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide (PubChem CID 122623696) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide
PubChem CID122623696
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(F)nn(CC4CC4)c3c2)cn(C)c1=O
InChIInChI=1S/C19H21FN4O3S/c1-11-6-14(10-23(2)19(11)25)13-7-15(22-28(3,26)27)17-16(8-13)24(21-18(17)20)9-12-4-5-12/h6-8,10,12,22H,4-5,9H2,1-3H3
InChIKeyMIELHBUJUJCIJO-UHFFFAOYSA-N
XLogP2.63
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

US10807982, Example 105
CID 122623500
US10807982, Example 106
CID 122623562
US10807982, Example 64
CID 122623582
US10807982, Example 104
CID 122623612
US10807982, Example 65
CID 122623726
US10807982, Example 43
CID 126600960
US10807982, Example 42
CID 122623746
5-[4-Amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one
CID 122623577
N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633696
N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxopyridin-3-yl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633697
N-[1-butyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633698
N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633699

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide (CID 122623696) is N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)c3c(F)nn(CC4CC4)c3c2)cn(C)c1=O.
What is the InChIKey of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide?
The InChIKey is MIELHBUJUJCIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-11-6-14(10-23(2)19(11)25)13-7-15(22-28(3,26)27)17-16(8-13)24(21-18(17)20)9-12-4-5-12/h6-8,10,12,22H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide?
N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide has a molecular weight of 404.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoroindazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122623696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).