4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

C26H22FN5O2 — CID 69245375

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)C(C(=O)Nc3ccc4cn[nH]c4c3)=C(C)N2)cc1
InChIInChI=1S/C26H22FN5O2/c1-15-23(26(33)30-20-10-5-18-14-28-32-22(18)13-20)24(16-3-8-19(27)9-4-16)31-25(29-15)17-6-11-21(34-2)12-7-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyWHWZTUFOLILJRS-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 69245375) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID69245375
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)C(C(=O)Nc3ccc4cn[nH]c4c3)=C(C)N2)cc1
InChIInChI=1S/C26H22FN5O2/c1-15-23(26(33)30-20-10-5-18-14-28-32-22(18)13-20)24(16-3-8-19(27)9-4-16)31-25(29-15)17-6-11-21(34-2)12-7-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyWHWZTUFOLILJRS-UHFFFAOYSA-N
XLogP4.71
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 69245375) is 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc(F)cc3)C(C(=O)Nc3ccc4cn[nH]c4c3)=C(C)N2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is WHWZTUFOLILJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-15-23(26(33)30-20-10-5-18-14-28-32-22(18)13-20)24(16-3-8-19(27)9-4-16)31-25(29-15)17-6-11-21(34-2)12-7-17/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1H-indazol-6-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 69245375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).