N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine

C19H14F3N5O — CID 72725512

IUPACN-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
SMILESCc1cnc(Nc2ccc3[nH]ncc3c2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N5O/c1-11-9-23-18(25-14-4-7-16-13(8-14)10-24-27-16)26-17(11)12-2-5-15(6-3-12)28-19(20,21)22/h2-10H,1H3,(H,24,27)(H,23,25,26)
InChIKeySUXNDHDEEQFXQA-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.97
Rot. Bonds4

About N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine

N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine (PubChem CID 72725512) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
PubChem CID72725512
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
SMILESCc1cnc(Nc2ccc3[nH]ncc3c2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N5O/c1-11-9-23-18(25-14-4-7-16-13(8-14)10-24-27-16)26-17(11)12-2-5-15(6-3-12)28-19(20,21)22/h2-10H,1H3,(H,24,27)(H,23,25,26)
InChIKeySUXNDHDEEQFXQA-UHFFFAOYSA-N
XLogP4.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Sgc-clk-1
CID 6539389
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
N-(2,4-difluorophenyl)-3-(5-(3-(dimethylamino)prop-1-ynyl)-2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11590141
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381
Pyrazolo[1,5-b]pyridazine deriv. 40
CID 6539382

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine?
The IUPAC name of N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine (CID 72725512) is N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine is Cc1cnc(Nc2ccc3[nH]ncc3c2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine?
The InChIKey is SUXNDHDEEQFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-9-23-18(25-14-4-7-16-13(8-14)10-24-27-16)26-17(11)12-2-5-15(6-3-12)28-19(20,21)22/h2-10H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine?
N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine has a molecular weight of 385.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine is sourced from PubChem (CID 72725512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).