5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide

C23H30FN7O3 — CID 134188098

IUPAC5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
SMILES[H]/N=C(\C)C(CCC)Nc1nc(Nc2ccc3c(c2)c(OC)nn3CCOC)c(C(N)=O)cc1F
InChIInChI=1S/C23H30FN7O3/c1-5-6-18(13(2)25)28-22-17(24)12-16(20(26)32)21(29-22)27-14-7-8-19-15(11-14)23(34-4)30-31(19)9-10-33-3/h7-8,11-12,18,25H,5-6,9-10H2,1-4H3,(H2,26,32)(H2,27,28,29)/b25-13+
InChIKeyWBPKZPGXCJHSPZ-DHRITJCHSA-N
MW471.54 g/mol
LogP3.69
Rot. Bonds12

About 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide

5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide (PubChem CID 134188098) has the molecular formula C23H30FN7O3 and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
PubChem CID134188098
Molecular FormulaC23H30FN7O3
Molecular Weight471.54 g/mol
Exact Mass471.24
IUPAC Name5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
SMILES[H]/N=C(\C)C(CCC)Nc1nc(Nc2ccc3c(c2)c(OC)nn3CCOC)c(C(N)=O)cc1F
InChIInChI=1S/C23H30FN7O3/c1-5-6-18(13(2)25)28-22-17(24)12-16(20(26)32)21(29-22)27-14-7-8-19-15(11-14)23(34-4)30-31(19)9-10-33-3/h7-8,11-12,18,25H,5-6,9-10H2,1-4H3,(H2,26,32)(H2,27,28,29)/b25-13+
InChIKeyWBPKZPGXCJHSPZ-DHRITJCHSA-N
XLogP3.69
TPSA140.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]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

Related Compounds

6-fluoro-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
CID 141442617
6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 154030087
6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
CID 134187913
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide
CID 135305651
6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305672
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
CID 134188100
6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 163823366
6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305755
tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
CID 147863066
6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305674

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide (CID 134188098) is 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide is [H]/N=C(\C)C(CCC)Nc1nc(Nc2ccc3c(c2)c(OC)nn3CCOC)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide?
The InChIKey is WBPKZPGXCJHSPZ-DHRITJCHSA-N. The full InChI is InChI=1S/C23H30FN7O3/c1-5-6-18(13(2)25)28-22-17(24)12-16(20(26)32)21(29-22)27-14-7-8-19-15(11-14)23(34-4)30-31(19)9-10-33-3/h7-8,11-12,18,25H,5-6,9-10H2,1-4H3,(H2,26,32)(H2,27,28,29)/b25-13+.
What are the key properties of 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide?
5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 3.69, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 134188098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).