N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine

C22H24N10O — CID 162666018

IUPACN-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine
SMILESCc1nnc(-c2nn(C)c3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1
InChIInChI=1S/C22H24N10O/c1-13-26-27-21(33-13)20-16-10-14(6-7-19(16)32(5)29-20)24-22-23-9-8-17(25-22)18-11-15(12-30(2)3)31(4)28-18/h6-11H,12H2,1-5H3,(H,23,24,25)
InChIKeyVCLGWEJYKWKPFX-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine

N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine (PubChem CID 162666018) has the molecular formula C22H24N10O and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine.

Molecular Properties

Compound NameN-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine
PubChem CID162666018
Molecular FormulaC22H24N10O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC NameN-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine
SMILESCc1nnc(-c2nn(C)c3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1
InChIInChI=1S/C22H24N10O/c1-13-26-27-21(33-13)20-16-10-14(6-7-19(16)32(5)29-20)24-22-23-9-8-17(25-22)18-11-15(12-30(2)3)31(4)28-18/h6-11H,12H2,1-5H3,(H,23,24,25)
InChIKeyVCLGWEJYKWKPFX-UHFFFAOYSA-N
XLogP2.93
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-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

ethyl 3-[2-[(3-chloro-1-methylindol-5-yl)amino]pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218068
(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263085
3-[2-[(3-chloro-1-methylindol-5-yl)amino]pyrimidin-4-yl]-N-(cyclohexylidenemethyl)-1-methylpyrazole-5-carboxamide
CID 163218058
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methyl-N-[2-(methylamino)ethyl]pyrazole-5-carboxamide;hydrochloride
CID 163218276
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 163218198
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244
N-[4-[2-(dimethylamino)ethoxy]-2-methoxy-5-nitrophenyl]-4-(1-methylindazol-3-yl)pyrimidin-2-amine
CID 121396151
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindazol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 130412642
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine?
The IUPAC name of N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine (CID 162666018) is N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine.
What is the SMILES notation for N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine?
The canonical SMILES for N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine is Cc1nnc(-c2nn(C)c3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1.
What is the InChIKey of N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine?
The InChIKey is VCLGWEJYKWKPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O/c1-13-26-27-21(33-13)20-16-10-14(6-7-19(16)32(5)29-20)24-22-23-9-8-17(25-22)18-11-15(12-30(2)3)31(4)28-18/h6-11H,12H2,1-5H3,(H,23,24,25).
What are the key properties of N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine?
N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine has a molecular weight of 444.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)indazol-5-amine is sourced from PubChem (CID 162666018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).