2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide

C23H24N8O — CID 155682230

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C23H24N8O/c24-15-7-4-8-31(13-15)23-26-11-19(21(25)32)22(29-23)28-16-9-17(14-5-2-1-3-6-14)18-12-27-30-20(18)10-16/h1-3,5-6,9-12,15H,4,7-8,13,24H2,(H2,25,32)(H,27,30)(H,26,28,29)/t15-/m0/s1
InChIKeyWWOAUQMOPMNNLL-HNNXBMFYSA-N
MW428.50 g/mol
LogP2.79
Rot. Bonds5

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide (PubChem CID 155682230) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide
PubChem CID155682230
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C23H24N8O/c24-15-7-4-8-31(13-15)23-26-11-19(21(25)32)22(29-23)28-16-9-17(14-5-2-1-3-6-14)18-12-27-30-20(18)10-16/h1-3,5-6,9-12,15H,4,7-8,13,24H2,(H2,25,32)(H,27,30)(H,26,28,29)/t15-/m0/s1
InChIKeyWWOAUQMOPMNNLL-HNNXBMFYSA-N
XLogP2.79
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide (CID 155682230) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(-c2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is WWOAUQMOPMNNLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-15-7-4-8-31(13-15)23-26-11-19(21(25)32)22(29-23)28-16-9-17(14-5-2-1-3-6-14)18-12-27-30-20(18)10-16/h1-3,5-6,9-12,15H,4,7-8,13,24H2,(H2,25,32)(H,27,30)(H,26,28,29)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[(4-phenyl-1H-indazol-6-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).