4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

C22H23N7O2S — CID 126962220

IUPAC4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESO=S(=O)(c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1)N1CCCCC1
InChIInChI=1S/C22H23N7O2S/c30-32(31,29-12-2-1-3-13-29)17-7-4-6-16(14-17)25-22-23-11-10-21(27-22)26-19-8-5-9-20-18(19)15-24-28-20/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H2,23,25,26,27)
InChIKeyKTNNUUVULDGRKL-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.01
Rot. Bonds6

About 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 126962220) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID126962220
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESO=S(=O)(c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1)N1CCCCC1
InChIInChI=1S/C22H23N7O2S/c30-32(31,29-12-2-1-3-13-29)17-7-4-6-16(14-17)25-22-23-11-10-21(27-22)26-19-8-5-9-20-18(19)15-24-28-20/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H2,23,25,26,27)
InChIKeyKTNNUUVULDGRKL-UHFFFAOYSA-N
XLogP4.01
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine 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

3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N-propan-2-yloxybenzenesulfonamide
CID 126962219
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71233489
5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione
CID 126962213
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 52948082
acetaldehyde;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine;ethane
CID 143348206
4-N-(1H-indazol-4-yl)-2-N-[3-(2-methylpropylamino)sulfanylphenyl]pyrimidine-2,4-diamine
CID 143348184
2,2-difluoro-6-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126962194
4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 141211169
2-[3,4-dimethyl-5-[[2-(3-pyrrolidin-1-ylsulfonylanilino)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 53476883
N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
CID 17417619
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
3-[[5-methyl-2-(3-piperidin-1-ylsulfonylanilino)pyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190596

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 126962220) is 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is O=S(=O)(c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1)N1CCCCC1.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KTNNUUVULDGRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c30-32(31,29-12-2-1-3-13-29)17-7-4-6-16(14-17)25-22-23-11-10-21(27-22)26-19-8-5-9-20-18(19)15-24-28-20/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H2,23,25,26,27).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 449.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126962220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).