5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide

C22H26F2N6O2 — CID 134188100

IUPAC5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
SMILESCOc1nn(C)c2c(F)cc(Nc3nc(NC4(C(C)C)CCC4)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C22H26F2N6O2/c1-11(2)22(6-5-7-22)28-20-16(24)10-14(18(25)31)19(27-20)26-12-8-13-17(15(23)9-12)30(3)29-21(13)32-4/h8-11H,5-7H2,1-4H3,(H2,25,31)(H2,26,27,28)
InChIKeyDIOXZIXMCJOGCA-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.09
Rot. Bonds7

About 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide

5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide (PubChem CID 134188100) has the molecular formula C22H26F2N6O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
PubChem CID134188100
Molecular FormulaC22H26F2N6O2
Molecular Weight444.49 g/mol
Exact Mass444.21
IUPAC Name5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
SMILESCOc1nn(C)c2c(F)cc(Nc3nc(NC4(C(C)C)CCC4)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C22H26F2N6O2/c1-11(2)22(6-5-7-22)28-20-16(24)10-14(18(25)31)19(27-20)26-12-8-13-17(15(23)9-12)30(3)29-21(13)32-4/h8-11H,5-7H2,1-4H3,(H2,25,31)(H2,26,27,28)
InChIKeyDIOXZIXMCJOGCA-UHFFFAOYSA-N
XLogP4.09
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide 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 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide (CID 134188100) is 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide is COc1nn(C)c2c(F)cc(Nc3nc(NC4(C(C)C)CCC4)c(F)cc3C(N)=O)cc12.
What is the InChIKey of 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide?
The InChIKey is DIOXZIXMCJOGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2/c1-11(2)22(6-5-7-22)28-20-16(24)10-14(18(25)31)19(27-20)26-12-8-13-17(15(23)9-12)30(3)29-21(13)32-4/h8-11H,5-7H2,1-4H3,(H2,25,31)(H2,26,27,28).
What are the key properties of 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide?
5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 134188100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).