2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide

C22H22FN7O2 — CID 118226418

IUPAC2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCn1cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCCC(F)C3)cc2n1
InChIInChI=1S/C22H22FN7O2/c1-29-10-14-7-17(19(9-16(14)28-29)30-6-2-3-15(23)11-30)26-21(31)18-12-32-22(27-18)13-4-5-25-20(24)8-13/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H2,24,25)(H,26,31)
InChIKeyABNVTVKCDSTQJA-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.40
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide

2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118226418) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID118226418
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCn1cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCCC(F)C3)cc2n1
InChIInChI=1S/C22H22FN7O2/c1-29-10-14-7-17(19(9-16(14)28-29)30-6-2-3-15(23)11-30)26-21(31)18-12-32-22(27-18)13-4-5-25-20(24)8-13/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H2,24,25)(H,26,31)
InChIKeyABNVTVKCDSTQJA-UHFFFAOYSA-N
XLogP3.40
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide (CID 118226418) is 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide is Cn1cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCCC(F)C3)cc2n1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ABNVTVKCDSTQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-29-10-14-7-17(19(9-16(14)28-29)30-6-2-3-15(23)11-30)26-21(31)18-12-32-22(27-18)13-4-5-25-20(24)8-13/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H2,24,25)(H,26,31).
What are the key properties of 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide?
2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-N-[6-(3-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).