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

C26H22FN5O2 — CID 59729089

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(COc2ccccc2)N1
InChIInChI=1S/C26H22FN5O2/c1-16-24(26(33)30-20-11-12-22-18(13-20)14-28-32-22)25(17-7-9-19(27)10-8-17)31-23(29-16)15-34-21-5-3-2-4-6-21/h2-14,25H,15H2,1H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyYSYMFLXZMAQUCJ-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.74
Rot. Bonds6

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 59729089) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID59729089
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(COc2ccccc2)N1
InChIInChI=1S/C26H22FN5O2/c1-16-24(26(33)30-20-11-12-22-18(13-20)14-28-32-22)25(17-7-9-19(27)10-8-17)31-23(29-16)15-34-21-5-3-2-4-6-21/h2-14,25H,15H2,1H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyYSYMFLXZMAQUCJ-UHFFFAOYSA-N
XLogP4.74
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.74
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-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide (CID 59729089) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(COc2ccccc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is YSYMFLXZMAQUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-16-24(26(33)30-20-11-12-22-18(13-20)14-28-32-22)25(17-7-9-19(27)10-8-17)31-23(29-16)15-34-21-5-3-2-4-6-21/h2-14,25H,15H2,1H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.74, 6 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-5-yl)-6-methyl-2-(phenoxymethyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 59729089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).