N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide

C21H21N7O3 — CID 118608441

IUPACN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1nccc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCC(O)C3)co2)n1
InChIInChI=1S/C21H21N7O3/c1-12-22-5-3-15(24-12)21-26-17(11-31-21)20(30)25-16-8-18-13(9-23-27(18)2)7-19(16)28-6-4-14(29)10-28/h3,5,7-9,11,14,29H,4,6,10H2,1-2H3,(H,25,30)
InChIKeyLLKXKBKIKXTDPR-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.15
Rot. Bonds4

About N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide

N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 118608441) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID118608441
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC NameN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1nccc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCC(O)C3)co2)n1
InChIInChI=1S/C21H21N7O3/c1-12-22-5-3-15(24-12)21-26-17(11-31-21)20(30)25-16-8-18-13(9-23-27(18)2)7-19(16)28-6-4-14(29)10-28/h3,5,7-9,11,14,29H,4,6,10H2,1-2H3,(H,25,30)
InChIKeyLLKXKBKIKXTDPR-UHFFFAOYSA-N
XLogP2.15
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US10752635, Example 35
CID 139413881
N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 123613024
US10752635, Example 32
CID 139413976
N-[2-methyl-5-(3-methylpiperidin-1-yl)indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 129182487
N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 136073242
N-[5-(3-fluoropiperidin-1-yl)-1-methylindazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 102593969
2-(2,6-dimethyl-4-pyridinyl)-N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
CID 118226391
2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
CID 118226418
N-[6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226423
N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226480
N-[6-(4-fluoropiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226501
N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226565

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide (CID 118608441) is N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide is Cc1nccc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CCC(O)C3)co2)n1.
What is the InChIKey of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is LLKXKBKIKXTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-12-22-5-3-15(24-12)21-26-17(11-31-21)20(30)25-16-8-18-13(9-23-27(18)2)7-19(16)28-6-4-14(29)10-28/h3,5,7-9,11,14,29H,4,6,10H2,1-2H3,(H,25,30).
What are the key properties of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-(2-methylpyrimidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118608441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).