N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine

C15H15F2N5O — CID 166128929

IUPACN-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC(C)c1ncc(OC(F)F)c(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C15H15F2N5O/c1-8(2)12-18-7-11(23-15(16)17)14(19-12)20-13-9-5-3-4-6-10(9)21-22-13/h3-8,15H,1-2H3,(H2,18,19,20,21,22)
InChIKeyMFDTVQUAPSSWRZ-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.82
Rot. Bonds5

About N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine

N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 166128929) has the molecular formula C15H15F2N5O and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID166128929
Molecular FormulaC15H15F2N5O
Molecular Weight319.31 g/mol
Exact Mass319.12
IUPAC NameN-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC(C)c1ncc(OC(F)F)c(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C15H15F2N5O/c1-8(2)12-18-7-11(23-15(16)17)14(19-12)20-13-9-5-3-4-6-10(9)21-22-13/h3-8,15H,1-2H3,(H2,18,19,20,21,22)
InChIKeyMFDTVQUAPSSWRZ-UHFFFAOYSA-N
XLogP3.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
4-(1H-indazol-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 82374888
N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517
[6-fluoro-7-(1H-indazol-3-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite
CID 177358786
1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol
CID 166128713
(2'S,3R)-2'-[3-[[5-(difluoromethoxy)-2-methylpyrimidin-4-yl]amino]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 166128644
1-chloro-4-(difluoromethoxy)isoquinoline
CID 150576638
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine
CID 166129333
2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
CID 20626340
4-N-(1H-indazol-3-yl)benzene-1,4-diamine
CID 142650231

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine (CID 166128929) is N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine is CC(C)c1ncc(OC(F)F)c(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is MFDTVQUAPSSWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c1-8(2)12-18-7-11(23-15(16)17)14(19-12)20-13-9-5-3-4-6-10(9)21-22-13/h3-8,15H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine?
N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 319.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethoxy)-2-propan-2-ylpyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 166128929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).