4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

C23H21FN8O2 — CID 164944285

IUPAC4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OC(C)c1cn(C)nc1-2
InChIInChI=1S/C23H21FN8O2/c1-12-15-11-32(3)31-20(15)14-5-4-6-16(22(14)34-12)27-17-9-19(29-30-21(17)23(33)25-2)28-18-8-7-13(24)10-26-18/h4-12H,1-3H3,(H,25,33)(H2,26,27,28,29)
InChIKeyMDQPHWXNDZIBLK-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.71
Rot. Bonds5

About 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide

4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 164944285) has the molecular formula C23H21FN8O2 and a molecular weight of 460.47 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID164944285
Molecular FormulaC23H21FN8O2
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OC(C)c1cn(C)nc1-2
InChIInChI=1S/C23H21FN8O2/c1-12-15-11-32(3)31-20(15)14-5-4-6-16(22(14)34-12)27-17-9-19(29-30-21(17)23(33)25-2)28-18-8-7-13(24)10-26-18/h4-12H,1-3H3,(H,25,33)(H2,26,27,28,29)
InChIKeyMDQPHWXNDZIBLK-UHFFFAOYSA-N
XLogP3.71
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-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 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide (CID 164944285) is 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OC(C)c1cn(C)nc1-2.
What is the InChIKey of 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is MDQPHWXNDZIBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O2/c1-12-15-11-32(3)31-20(15)14-5-4-6-16(22(14)34-12)27-17-9-19(29-30-21(17)23(33)25-2)28-18-8-7-13(24)10-26-18/h4-12H,1-3H3,(H,25,33)(H2,26,27,28,29).
What are the key properties of 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide?
4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 164944285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).