4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

C26H21FN6O4 — CID 11504267

IUPAC4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc4c(c3)OCO4)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)cn1
InChIInChI=1S/C26H21FN6O4/c1-13-23(26(34)31-19-7-16-11-29-33-18(16)9-17(19)27)24(14-3-5-20-21(8-14)37-12-36-20)32-25(30-13)15-4-6-22(35-2)28-10-15/h3-11,24H,12H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyRFYYGAPHJQGRBG-UHFFFAOYSA-N
MW500.49 g/mol
LogP3.84
Rot. Bonds5

About 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11504267) has the molecular formula C26H21FN6O4 and a molecular weight of 500.49 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11504267
Molecular FormulaC26H21FN6O4
Molecular Weight500.49 g/mol
Exact Mass500.16
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc4c(c3)OCO4)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)cn1
InChIInChI=1S/C26H21FN6O4/c1-13-23(26(34)31-19-7-16-11-29-33-18(16)9-17(19)27)24(14-3-5-20-21(8-14)37-12-36-20)32-25(30-13)15-4-6-22(35-2)28-10-15/h3-11,24H,12H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyRFYYGAPHJQGRBG-UHFFFAOYSA-N
XLogP3.84
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-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-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 11504267) is 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc4c(c3)OCO4)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)cn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is RFYYGAPHJQGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O4/c1-13-23(26(34)31-19-7-16-11-29-33-18(16)9-17(19)27)24(14-3-5-20-21(8-14)37-12-36-20)32-25(30-13)15-4-6-22(35-2)28-10-15/h3-11,24H,12H2,1-2H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 500.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11504267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).