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

C20H17N5O4 — CID 90755178

IUPAC6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCC1=CC(c2ccc3c(c2)OCO3)NC(=O)N1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H17N5O4/c1-11-6-16(12-2-5-17-18(8-12)29-10-28-17)23-20(27)25(11)19(26)22-14-3-4-15-13(7-14)9-21-24-15/h2-9,16H,10H2,1H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyYWINJEFICJNCHG-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.49
Rot. Bonds2

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

6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide (PubChem CID 90755178) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
PubChem CID90755178
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCC1=CC(c2ccc3c(c2)OCO3)NC(=O)N1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H17N5O4/c1-11-6-16(12-2-5-17-18(8-12)29-10-28-17)23-20(27)25(11)19(26)22-14-3-4-15-13(7-14)9-21-24-15/h2-9,16H,10H2,1H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyYWINJEFICJNCHG-UHFFFAOYSA-N
XLogP3.49
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide (CID 90755178) is 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide is CC1=CC(c2ccc3c(c2)OCO3)NC(=O)N1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The InChIKey is YWINJEFICJNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-11-6-16(12-2-5-17-18(8-12)29-10-28-17)23-20(27)25(11)19(26)22-14-3-4-15-13(7-14)9-21-24-15/h2-9,16H,10H2,1H3,(H,21,24)(H,22,26)(H,23,27).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 90755178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).