N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide

C22H18N6O2S — CID 91122570

IUPACN-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2csc(-c3ccccc3)n2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C22H18N6O2S/c1-12-18(20(29)25-15-7-8-16-14(9-15)10-23-28-16)19(27-22(30)24-12)17-11-31-21(26-17)13-5-3-2-4-6-13/h2-11,18-19H,1H3,(H,23,28)(H,25,29)(H,27,30)
InChIKeyUDBPIQKJLXQFCS-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.17
Rot. Bonds4

About N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 91122570) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID91122570
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC NameN-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=NC(=O)NC(c2csc(-c3ccccc3)n2)C1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C22H18N6O2S/c1-12-18(20(29)25-15-7-8-16-14(9-15)10-23-28-16)19(27-22(30)24-12)17-11-31-21(26-17)13-5-3-2-4-6-13/h2-11,18-19H,1H3,(H,23,28)(H,25,29)(H,27,30)
InChIKeyUDBPIQKJLXQFCS-UHFFFAOYSA-N
XLogP4.17
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91500375
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-quinolin-3-yl-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91135404
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
6-(3,4-difluorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91304245
6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91134729
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
6-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91090625
6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90863970
6-(2-hydroxy-4-methoxyphenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90878838
N-(6-chloro-1H-indazol-5-yl)-4-methyl-6-naphthalen-2-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91046267
2-amino-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-4,5-dihydropyrimidine-5-carboxamide
CID 91590191
N-(7-chloro-1H-indazol-5-yl)-6-(4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91217504

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 91122570) is N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide is CC1=NC(=O)NC(c2csc(-c3ccccc3)n2)C1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is UDBPIQKJLXQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-12-18(20(29)25-15-7-8-16-14(9-15)10-23-28-16)19(27-22(30)24-12)17-11-31-21(26-17)13-5-3-2-4-6-13/h2-11,18-19H,1H3,(H,23,28)(H,25,29)(H,27,30).
What are the key properties of N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91122570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).